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Journal articles on the topic 'PaDEL descriptors'

Author: Grafiati
Published: 3 June 2025
Last updated: 1 August 2025

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1

Yap, Chun Wei. "PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints." Journal of Computational Chemistry 32, no. 7 (2010): 1466–74. http://dx.doi.org/10.1002/jcc.21707.

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Babatunde, Olasupo Sabitu Babatunde, Adamu Uzairu, Gideon Adamu Shallangwa, and Sani Uba. "THEORETICAL AND INSILCO PHARMACOKINETIC INVESTIGATIONS ON SOME PHENYL PIPERIDINE DERIVATIVES AS NOVEL ANTIDEPRESSANT AGENTS." Journal of Engineering and Exact Sciences 6, no. 2 (2020): 0107–28. http://dx.doi.org/10.18540/jcecvl6iss2pp0107-0128.

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A theoretical bioinformatic investigation was carried out on some Inhibitors of serotonin transporter (SERT) of Phenyl piperidine derivatives using Density Functional Theory (DFT/B3LYP/6-31G*) at ground state with Spartan 14 V1.1.4 software in modeling the antipsychotic activity of the compounds. The molecular descriptors were computed using the PaDEL-Descriptor software 2.20 version. Penta-parametric Multi-linear regression models were developed using the MLR-GFA for selecting the most important descriptors. The statistical parameters for the best model are; R2Train= 0.8572, R 2adj = 0.8274,
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Papa, Ester, Alessandro Sangion, Olivier Taboureau, and Paola Gramatica. "Quantitative Prediction of Rat Hepatotoxicity by Molecular Structure." International Journal of Quantitative Structure-Property Relationships 3, no. 2 (2018): 49–60. http://dx.doi.org/10.4018/ijqspr.2018070104.

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In this article, Quantitative Structure Activity Relationships (QSAR) were generated to link the structure of over 120 heterogeneous drugs to rat hepatotoxicity. Existing studies, performed on the same data set, could not highlight relevant structure-activity relationships, and suggested models for the prediction of hepatotoxicity based on genomic data. Binary activity responses were used for the development of classification QSARs using theoretical molecular descriptors calculated with the software PaDEL-Descriptor. A statistically powerful QSAR based on six descriptors was generated by using
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Narayana Moorthy, N. S. Hari, Silvia A. Martins, Sergio F. Sousa, Maria J. Ramos, and Pedro A. Fernandes. "Classification study of solvation free energies of organic molecules using machine learning techniques." RSC Adv. 4, no. 106 (2014): 61624–30. http://dx.doi.org/10.1039/c4ra07961b.

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Classification models to predict the solvation free energies of organic molecules were developed using decision tree, random forest and support vector machine approaches and with MACCS fingerprints, MOE and PaDEL descriptors.
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Pramanik, Subrata, and Kunal Roy. "Modeling bioconcentration factor (BCF) using mechanistically interpretable descriptors computed from open source tool “PaDEL-Descriptor”." Environmental Science and Pollution Research 21, no. 4 (2013): 2955–65. http://dx.doi.org/10.1007/s11356-013-2247-z.

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Roy, Partha Pratim, Jagadish Singh, and Supratim Ray. "Exploring QSAR of Some Antitubercular Agents." International Journal of Quantitative Structure-Property Relationships 3, no. 1 (2018): 25–42. http://dx.doi.org/10.4018/ijqspr.2018010102.

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The in vitro vero cell cytotoxicity of 93 antitubercular compounds belonging to the classes of chiral pentaamines, bis-cyclic guanidines, bis-cyclic thioureas, bis-cyclic piperazines, and quinolylhydrazones has been modeled in the present quantitative structure-activity relationship (QSAR) study. Genetic function approximation followed by multiple linear regression (GFA-MLR) based on the mean absolute error (MAE) based criteria was used as the chemometric tool for the model development using 2D descriptors available from open source PaDEL-Descriptor. The developed model was statistically robus
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Padala, Jaswanthi, Shaheen Begum, Bharathi Koganti, and Arifa Begum S. K. "Exploring Quantitative Structure-Activity Relationships (QSARs) for Urea-Based Dual FAAH and sEH Inhibitors." International Journal of Quantitative Structure-Property Relationships 7, no. 2 (2022): 1–17. http://dx.doi.org/10.4018/ijqspr.290013.

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Several urea-based compounds have been reported as dual inhibitors of Fatty acid amide hydrolase (FAAH) and Soluble epoxide hydrolase (sEH) enzymes which have potential as anti-inflammatory and antinociceptive agents. QSAR studies were performed on the urea analogs to identify the molecular descriptors influencing the FAAH and sEH inhibitory activity using Small Dataset Modeler tool. Molecular descriptors (1D &2D) were computed using PaDEL-Descriptor software. A set of forty-eight compounds was used in the present study. Statistically significant models were derived for both the enzymes [p
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Yılmaz, Özlem, Enis Gumustas, and Ayça Çakmak Pehlivanlı. "A Hybrid Metaheuristic based Feature Selection Framework for In-silico Mutagenicity Prediction." Journal of Intelligent Systems: Theory and Applications 7, no. 2 (2024): 116–28. http://dx.doi.org/10.38016/jista.1468153.

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Mutagenicity is both a toxic risk to humans and an indicator of carcinogenicity. Hence, estimating mutagenicity in the early stages of drug design is crucial to minimize last-stage failures and withdrawals in drug discovery. Recently, in-silico methods have started to play critical and essential roles in the drug development process because they are low cost and low effort procedures. This study aims to predict mutagenicity of chemicals using in-silico methods. To achieve this goal, a two-phased flexible framework was proposed: 1) searching the effective and representative descriptors subset w
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Ashraf, Faisal Bin, Sanjida Akter, Sumona Hoque Mumu, Muhammad Usama Islam, and Jasim Uddin. "Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches." PLOS ONE 18, no. 9 (2023): e0288053. http://dx.doi.org/10.1371/journal.pone.0288053.

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The SARS-CoV-2 3CLpro protein is one of the key therapeutic targets of interest for COVID-19 due to its critical role in viral replication, various high-quality protein crystal structures, and as a basis for computationally screening for compounds with improved inhibitory activity, bioavailability, and ADMETox properties. The ChEMBL and PubChem database contains experimental data from screening small molecules against SARS-CoV-2 3CLpro, which expands the opportunity to learn the pattern and design a computational model that can predict the potency of any drug compound against coronavirus befor
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Amin, Sk Abdul, and Shovanlal Gayen. "Modelling the cytotoxic activity of pyrazolo-triazole hybrids using descriptors calculated from the open source tool “PaDEL-descriptor”." Journal of Taibah University for Science 10, no. 6 (2016): 896–905. http://dx.doi.org/10.1016/j.jtusci.2016.04.009.

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11

Chieffallo, Martina, Michele De Luca, Fedora Grande, et al. "Multivariate Approaches in Quantitative Structure–Property Relationships Study for the Photostability Assessment of 1,4-Dihydropyridine Derivatives." Pharmaceutics 16, no. 2 (2024): 206. http://dx.doi.org/10.3390/pharmaceutics16020206.

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1,4-dihydropyridines (1,4-DHPs) are widely recognized as highly effective L-type calcium channel blockers with significant therapeutic benefits in the treatment of cardiovascular disorders. 1,4-DHPs can also target T-type calcium channels, making them promising drug candidates for neurological conditions. When exposed to light, all 1,4-DHPs tend to easily degrade, leading to an oxidation product derived from the aromatization of the dihydropyridine ring. Herein, the elaboration of a quantitative structure–property relationships (QSPR) model was carried out by correlating the light sensitivity
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Glienke, Judith, Michael Stelter, and Patrick Braeutigam. "Degradability of organic micropollutants with sonolysis—Quantification of the structural influence through QSPR modelling." PLOS Water 2, no. 1 (2023): e0000082. http://dx.doi.org/10.1371/journal.pwat.0000082.

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Local and climate-driven challenges combined with an increasing anthropogenic pollution of the water compartment all around the world make a sustainable handling of wastewater imperative. New additional treatment methods are under examination, including cavitation-based advanced oxidation processes. To quantify structural influences on chemical processes, quantitative structure-property relationship (QSPR) modelling can be used, which calculates a correlation between a defined endpoint and structural properties expressed by molecular descriptors. In this study, QSPR modelling has been applied
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Mswahili, Medard Edmund, Gati Lother Martin, Jiyoung Woo, Guang J. Choi, and Young-Seob Jeong. "Antimalarial Drug Predictions Using Molecular Descriptors and Machine Learning against Plasmodium Falciparum." Biomolecules 11, no. 12 (2021): 1750. http://dx.doi.org/10.3390/biom11121750.

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Malaria remains by far one of the most threatening and dangerous illnesses caused by the plasmodium falciparum parasite. Chloroquine (CQ) and first-line artemisinin-based combination treatment (ACT) have long been the drug of choice for the treatment and controlling of malaria; however, the emergence of CQ-resistant and artemisinin resistance parasites is now present in most areas where malaria is endemic. In this work, we developed five machine learning models to predict antimalarial bioactivities of a drug against plasmodium falciparum from the features (i.e., molecular descriptors values) o
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Kalra, Sourav, Gaurav Joshi, Raj Kumar, and Anjana Munshi. "Role of 2-Dimensional Autocorrelation Descriptors in Predicting Antimalarial Activity of Artemisinin and its Aanalogues: A QSAR Study." Current Topics in Medicinal Chemistry 18, no. 31 (2019): 2720–30. http://dx.doi.org/10.2174/1568026619666190119143838.

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Background: Malaria, one of the World’s biggest billers’ is on the schedule for biomedical research and public health policies. The introduction of the artemisinin, a Chinese traditional drug from Artemisia annua is a revolution in the treatment of malaria. Artemisinin-based combination treatment (ACT) is considered to be the best strategy for uncomplicated Falciparum malaria. The presence of 1,2,4-trioxane system in artemisinin is responsible for its antimalarial activity. Methods: In this study, twenty-nine analogues of artemisinin were taken into account for QSAR studies along with artemisi
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15

Przybyłek, Maciej, Tomasz Jeliński, and Piotr Cysewski. "Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String." Journal of Chemistry 2019 (January 10, 2019): 1–15. http://dx.doi.org/10.1155/2019/9858371.

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A new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard QSPR/QSAR internal validation procedures provided by the QSARINS software and by predicting the solubility classification of polymers and drug-like solid solutes i
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Jović, Ozren, and Tomislav Šmuc. "Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT." Molecules 26, no. 14 (2021): 4323. http://dx.doi.org/10.3390/molecules26144323.

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In this work we introduce a novel filtering and molecular modeling pipeline based on a fingerprint and descriptor similarity procedure, coupled with molecular docking and molecular dynamics (MD), to select potential novel quoinone outside inhibitors (QoI) of cytochrome bc1 with the aim of determining the same or different chromophores to usual. The study was carried out using the yeast cytochrome bc1 complex with its docked ligand (stigmatellin), using all the fungicides from FRAC code C3 mode of action, 8617 Drugbank compounds and 401,624 COCONUT compounds. The introduced drug repurposing pip
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Kessler, Andrew, Valentina L. Kouznetsova, and Igor F. Tsigelny. "Targeting Epigenetic Regulators Using Machine Learning: Potential Sirtuin 2 Inhibitors." Journal of Computational Biophysics and Chemistry 20, no. 08 (2021): 841–51. http://dx.doi.org/10.1142/s2737416521500526.

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Sirtuin 2 (SIRT2) is a nicotinamide adenine dinucleotide (NAD+)-dependent deacetylase that has been identified as a target for many diseases, including Parkinson’s disease (PD) and leukemia. Using 234 SIRT2 inhibitors from the ZINC15 database, we generated molecular descriptors with PaDEL and constructed a machine-learning (ML) model for the binary classification of SIRT2 inhibitors. To predict compounds with novel inhibitory mechanisms, we then applied the model on the ZINC15/FDA subset, yielding 107 potential SIRT2 inhibitors. For validation of these substances, we employed the binding analy
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Doucet, J. P., and A. Doucet-Panaye. "Dibenzoylhydrazines as Insect Growth Modulators: Topology-Based QSAR Modelling." Advances in Sciences and Engineering 12, no. 1 (2020): 28–40. http://dx.doi.org/10.32732/ase.2020.12.1.28.

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Dibenzoylhydrazines Xa-(C6H5)a-CO-N-(t-Bu)-NH-CO-(C6H5)b-Yb are efficient insect growth regulators with high activity and selectivity toward lepidopteran and coleopteran pests. For 123 congeneric molecules, a quantitative structure activity relationship model was built in the framework of the QSARINS package using 2D, Topology-based, PaDEL descriptors. Variable selection by GA-MLR allows building an efficient multilinear regression linking pEC50 values to nine structural variables. Robustness and quality of the model were carefully examined at various levels: data-fitting (recall), leave-one (
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19

Shah, Sapan K., and Dinesh R. Chaple. "2D-QSAR Modeling of Quinazolinone Derivatives as Angiotensin II Type 1a Receptor Blockers." International Journal of Quantitative Structure-Property Relationships 7, no. 2 (2022): 1–20. http://dx.doi.org/10.4018/ijqspr.290012.

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Angiotensin receptor blockers (ARBs) are a group of drugs primarily used in the treatment of cardiovascular disease. Multiple quantitative structural activity relationship (QSAR) models established for prediction of angiotensin II type 1a (AT-1a) receptor blocking activity of quinazolinone derivatives to investigate the structural attributes that have significant correlation with biological activity. The genetic algorithm (GA) approach was used to generate a highly predictive models using easily interpretable Py, OEstate and Padel descriptors. OECD principles have been followed to develop stat
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Selvam, Subathra, Priya Dharshini Balaji, Honglae Sohn, and Thirumurthy Madhavan. "AISMPred: A Machine Learning Approach for Predicting Anti-Inflammatory Small Molecules." Pharmaceuticals 17, no. 12 (2024): 1693. https://doi.org/10.3390/ph17121693.

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Background/Objectives: Inflammation serves as a vital response to diverse harmful stimuli like infections, toxins, or tissue injuries, aiding in the elimination of pathogens and tissue repair. However, persistent inflammation can lead to chronic diseases. Peptide therapeutics have gained attention for their specificity in targeting cells, yet their development remains costly and time-consuming. Therefore, small molecules, with their stability, low immunogenicity, and oral bioavailability, have become a focal point for predicting anti-inflammatory small molecules (AISMs). Methods: In this study
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Hussin, Sahar K., Salah M. Abdelmageid, Adel Alkhalil, Yasser M. Omar, Mahmoud I. Marie, and Rabie A. Ramadan. "Handling Imbalance Classification Virtual Screening Big Data Using Machine Learning Algorithms." Complexity 2021 (January 28, 2021): 1–15. http://dx.doi.org/10.1155/2021/6675279.

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Virtual screening is the most critical process in drug discovery, and it relies on machine learning to facilitate the screening process. It enables the discovery of molecules that bind to a specific protein to form a drug. Despite its benefits, virtual screening generates enormous data and suffers from drawbacks such as high dimensions and imbalance. This paper tackles data imbalance and aims to improve virtual screening accuracy, especially for a minority dataset. For a dataset identified without considering the data’s imbalanced nature, most classification methods tend to have high predictiv
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22

Gautam, Sakshi, Anamika Thakur, Akanksha Rajput, and Manoj Kumar. "Anti-Dengue: A Machine Learning-Assisted Prediction of Small Molecule Antivirals against Dengue Virus and Implications in Drug Repurposing." Viruses 16, no. 1 (2023): 45. http://dx.doi.org/10.3390/v16010045.

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Dengue outbreaks persist in global tropical regions, lacking approved antivirals, necessitating critical therapeutic development against the virus. In this context, we developed the “Anti-Dengue” algorithm that predicts dengue virus inhibitors using a quantitative structure–activity relationship (QSAR) and MLTs. Using the “DrugRepV” database, we extracted chemicals (small molecules) and repurposed drugs targeting the dengue virus with their corresponding IC50 values. Then, molecular descriptors and fingerprints were computed for these molecules using PaDEL software. Further, these molecules we
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Guseva, Ekaterina A., Natalia I. Nikolayeva, Andrey S. Filin, and Olga N. Savostikova. "Comparative evaluation of mathematical models for predicting acute toxicity of chemicals." Hygiene and sanitation 101, no. 7 (2022): 816–23. http://dx.doi.org/10.47470/0016-9900-2022-101-7-816-823.

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Introduction. Considerable attention is paid to the assessment of acute toxicity of chemical compounds during oral administration due to the different rates of absorption of substances in different animal species and various experimental conditions. Given the pace of development of the chemical industry, researchers are faced with the question of accelerating the study of the properties of substances and filling data gaps. Therefore, quantitative prediction of the toxic properties of substances using mathematical models based on the structure or structural properties of compounds - quantitativ
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Baptista, Rafael, Sumana Bhowmick, Jianying Shen, and Luis A. J. Mur. "Molecular Docking Suggests the Targets of Anti-Mycobacterial Natural Products." Molecules 26, no. 2 (2021): 475. http://dx.doi.org/10.3390/molecules26020475.

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Tuberculosis (TB) is a major global threat, mostly due to the development of antibiotic-resistant forms of Mycobacterium tuberculosis, the causal agent of the disease. Driven by the pressing need for new anti-mycobacterial agents several natural products (NPs) have been shown to have in vitro activities against M. tuberculosis. The utility of any NP as a drug lead is augmented when the anti-mycobacterial target(s) is unknown. To suggest these, we used a molecular reverse docking approach to predict the interactions of 53 selected anti-mycobacterial NPs against known “druggable” mycobacterial t
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Wang, Yukun, and Xuebo Chen. "Joint Decision-Making Model Based on Consensus Modeling Technology for the Prediction of Drug-Induced Liver Injury." Journal of Chemistry 2021 (December 27, 2021): 1–20. http://dx.doi.org/10.1155/2021/2293871.

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Drug-induced liver injury (DILI) is the major cause of clinical trial failure and postmarketing withdrawals of approved drugs. It is very expensive and time-consuming to evaluate hepatotoxicity using animal or cell-based experiments in the early stage of drug development. In this study, an in silico model based on the joint decision-making strategy was developed for DILI assessment using a relatively large dataset of 2608 compounds. Five consensus models were developed with PaDEL descriptors and PubChem, Substructure, Estate, and Klekota–Roth fingerprints, respectively. Submodels for each cons
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Shamilov, Shamil A., Natalia V. Zavorokhina, and Ekaterina V. Pastushkova. "Using sensory analysis the descriptor-profile method to assess creamy candies quality with arctic berries." Food Industry 9, no. 4 (2024): 22–33. https://doi.org/10.29141/2500-1922-2024-9-4-3.

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Chocolate and chocolate products consumption in 2023 was 7.6 kg per person. Despite the poor cocoa bean harvest in 2023–2024, complex logistics and rising prices, the chocolate market is actively growing, which requires the devel opment of new methods for assessing the quality of chocolate products. The descriptor-profile method of tasting analysis has the greatest potential for assessing the quality and identifying chocolate products. It was revealed that there are numerous developments in determining the sensory profile of chocolate, but there are no data on the use of the descriptor-profile
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Souza Gonzaga, Lira, Dimitra L. Capone, Susan E. P. Bastian, Lukas Danner, and David W. Jeffery. "Using Content Analysis to Characterise the Sensory Typicity and Quality Judgements of Australian Cabernet Sauvignon Wines." Foods 8, no. 12 (2019): 691. http://dx.doi.org/10.3390/foods8120691.

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Understanding the sensory attributes that explain the typicity of Australian Cabernet Sauvignon wines is essential for increasing value and growth of Australia’s reputation as a fine wine producer. Content analysis of 2598 web-based wine reviews from well-known wine writers, including tasting notes and scores, was used to gather information about the regional profiles of Australian Cabernet Sauvignon wines and to create selection criteria for further wine studies. In addition, a wine expert panel evaluated 84 commercial Cabernet Sauvignon wines from Coonawarra, Margaret River, Yarra Valley and
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Hughes, Roger. "Definitions for public health nutrition: a developing consensus." Public Health Nutrition 6, no. 6 (2003): 615–20. http://dx.doi.org/10.1079/phn2003487.

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AbstractObjectives:To assess the level of agreement amongst a panel of public health nutrition leaders regarding the key descriptors used to define the field of public health nutrition.Design:Cross-sectional survey requiring quantitative and qualitative responses representing the first round of a consensus development Delphi technique.Setting:International.Subjects:Expert panel of 24 public health nutrition leaders from nine countries in the European Union, the USA and Australia.Results:All but one of the panel agreed it was important to have a consensus definition for public health nutrition
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Malundo, T. M. M., R. L. Shewfelt, G. O. Ware, and E. A. Baldwin. "Sugars and Acids Influence Flavor Properties of Mango (Mangifera indica)." Journal of the American Society for Horticultural Science 126, no. 1 (2001): 115–21. http://dx.doi.org/10.21273/jashs.126.1.115.

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Information on important flavor components for fruit and vegetables is lacking and would be useful for breeders and molecular biologists. Effects of sugar and acid levels on mango (Mangifera indica L.) flavor perception were analyzed. Twelve treatments, identified using a constrained simplex lattice mixture design, were formulated by adding sugar (60%), citric acid (40%), and water to an equal volume of mango homogenate. Using 150-mm nonstructured line scales, a trained panel evaluated the treatments according to 11 flavor descriptors. Titratable acidity (TA), pH, and total soluble solids (TSS
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Jin, Gang, Xi Lv, Linsheng Wei, et al. "Chinese localisation of wine aroma descriptors: an update of <i> Le Nez du Vin </i> terminology by survey, descriptive analysis and similarity test." OENO One 56, no. 1 (2022): 241–51. http://dx.doi.org/10.20870/oeno-one.2022.56.1.4847.

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Aroma is an important criterion for describing and evaluating wine. The aroma descriptor system currently used in wine analysis is based on Western culture and is thus often inappropriate for use by other cultures to enhance their enjoyment of wine. The objective of the present study was to update this widely applied system to facilitate Chinese participation. The 54 wine aroma descriptors of the original Le Nez du Vin Master Kit were updated based on the results of a survey of 150 untrained Chinese wine consumers who identified the aromas unfamiliar to them. A descriptive sensory analysis was
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Silva, Wendell da Luz, Richard Siqueira Dias, Clayton Sidney de Almeida Vergara, and Leanderson Luiz de Sá. "O papel da Virdentopsy® no avanço das ciências radiológicas legais." Revista Remecs - Revista Multidisciplinar de Estudos Cientí­ficos em Saúde 8, no. 14 (2023): 108–19. http://dx.doi.org/10.24281/rremecs2023.8.14.108-119.

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A virdentopsy® é uma técnica inovadora de autópsia virtual que utiliza imagens radiográficas, fotos 2D/3D e gravação de vídeo para analisar restos humanos. A técnica foi desenvolvida em 2020, durante a pandemia de COVID-19, para permitir o correto processamento de restos humanos e obter um perfil genético dos restos humanos não identificados. A virdentopsy® é uma ferramenta valiosa para as autoridades policiais e forenses, pois pode ajudar a identificar vítimas, obter informações sobre a causa da morte e investigar crimes. A revisão bibliográfica foi realizada na base de dados PubMed®, utiliza
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Villalobos-Chaparro, Sarai, Erika Salas-Muñóz, Néstor Gutiérrez-Méndez, and Guadalupe Virginia Nevárez-Moorillón. "Sensory Profile of Chihuahua Cheese Manufactured from Raw Milk." International Journal of Food Science 2018 (December 23, 2018): 1–7. http://dx.doi.org/10.1155/2018/8494105.

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Chihuahua cheese is a local artisanal cheese traditionally produced from raw milk. When this cheese is produced with pasteurized milk, cheesemakers complain that there are differences in taste and aroma as compared with traditional manufacturing. This work aimed to obtain a descriptive sensory analysis of Chihuahua cheese manufactured with raw milk under traditional conditions. Samples were collected in five cheese dairies at two different seasons (summer and autumn), and a Quantitative Descriptive Sensorial Analysis was done by a panel of trained judges. For aroma descriptors, cooked descript
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&NA;. "Plenary Sessions and Expert Panel Descriptions." Simulation In Healthcare: The Journal of the Society for Simulation in Healthcare 3, Supplement (2008): 19–22. http://dx.doi.org/10.1097/sih.0b013e31815f6376.

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Salina, E. S. "Sensory evaluation of mono-varietal juices from columnar apple fruits." Horticulture and viticulture, no. 1 (March 23, 2021): 48–55. http://dx.doi.org/10.31676/0235-2591-2021-1-48-55.

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Tis study presents the sensory and biochemical traits of mono-varietal juices from columnar apple fruits grown in the Orel Region. Fruit juices from the cultivars Valuta, Zvezda Efira, Orlovskaya Eseniya and Priokskoye have been assessed against the Antonovka Obyknovennaya juice as control. We used the emerging sensory scales and dictionaries to develop a sensory panel for the apple juice evaluation and analysed its main biochemical criteria. Te top descriptors in a five-point rating were used to develop the colour, flavour and aroma scales for a quick juice quality evaluation, with suitable desc
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Kauppi, Juha, Marialuisa Lugaresi, Egesta Lopci, Niccolò Daddi, Jari Räsänen, and Sandro Mattioli. "PS02.079: ESOPHAGEAL ADENOCARCINOMA: CT, PET, EUS SENSITIVITY/SPECIFICITY FOR THE PREOPERATIVE ASSESSMENT OF LYMPH NODE METASTASES IN SINGLE THORACIC AND ABDOMINAL NODAL STATIONS." Diseases of the Esophagus 31, Supplement_1 (2018): 142–43. http://dx.doi.org/10.1093/dote/doy089.ps02.079.

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Abstract Background In esophageal adenocarcinoma clinical staging (cStaging), interest for N-descriptor according to single lymph nodal station has emerged, but no specific data are available. CT, PET, EUS sensitivity/specificity for N-descriptor in single stations were investigated. Methods In 101 esophageal adenocarcinoma cases (60/41 Siewert I/II) preoperative staging and primary radical surgical resection (prospective protocols) were performed. Resected lymphatic nodes (LNY) and lymphatic metastases (LNM) were reported for the following stations: A) right paratracheal/sub carinal/pulmonary
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Sonu, Dr, та Mohan Lal Kori. "Identification of Some α-Glucosidase Inhibitors Using QSAR Modeling Based Drug Repurposing Approach". Journal of Drug Delivery and Therapeutics 15, № 3 (2025): 36–52. https://doi.org/10.22270/jddt.v15i3.7029.

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Post-prandial hyperglycemia still remains a problem in the management of type II diabetes mellitus. Of all available anti-diabetic drugs, α-glucosidase inhibitors seem to be one of the most effective in reducing post-prandial hyperglycemia. In present study, QSAR modeling based drug repurposing approach has been implemented to identify some repurposed α-glucosidase inhibitors with established safety profile. For this QSAR modeling based analysis, initially a series of N’-Benzylidenebenzoylhydrazide having two different types of substitutions on Benzylidene and Benzoyl part as well as proper va
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Sonu, Dr, Arijit Bhattacharya, and Mohan Lal Kori. "Identification of Some DPP-4 Inhibitors Using QSAR Modeling Based Drug Repurposing Approach." Journal of Drug Delivery and Therapeutics 15, no. 3 (2025): 53–68. https://doi.org/10.22270/jddt.v15i3.7030.

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Post-prandial hyperglycemia still remains a problem in the management of type II diabetes mellitus. Of all available anti-diabetic drugs, DPP-4 inhibitors seem to be one of the most effective in reducing post-prandial hyperglycemia. In present study, QSAR modeling based drug repurposing approach has been implemented to identify some repurposed DPP-4 inhibitors with established safety profile. For this QSAR modeling based analysis, initially a (S)-1-((S)-2-amino-3-phenylpropanoyl) pyrrolidine-2-carbonitrile having two different types of substitutions i.e. R1 on phenyl and R2 on pyrrolidine as w
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Gonzalez Viejo, Claudia, Sigfredo Fuentes, Damir Torrico, et al. "The Effect of Soundwaves on Foamability Properties and Sensory of Beers with a Machine Learning Modeling Approach." Beverages 4, no. 3 (2018): 53. http://dx.doi.org/10.3390/beverages4030053.

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The use of ultrasounds has been implemented to increase yeast viability, de-foaming, and cavitation in foods and beverages. However, the application of low frequency audible sound to decrease bubble size and improve foamability has not been explored. In this study, three treatments using India Pale Ale beers were tested, which include (1) a control, (2) the application of audible sound during fermentation, and (3) the application of audible sound during natural carbonation. Five different audible frequencies (20 Hz, 30 Hz, 45 Hz, 55 Hz, and 75 Hz) were applied daily for one minute each (starti
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Allard, F., A. Batten, E. Budding, et al. "Panel Discussion IV." Proceedings of the International Astronomical Union 7, S282 (2011): 551–53. http://dx.doi.org/10.1017/s1743921311028377.

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I. Hubeny Welcome to the last panel meeting. We invite general comments either from the audience or from the panelists.V. Trimble Well, Mercedes started us with a vocabulary item and I think I would like to end with a vocabulary item. When they were first discovered, we called them ‘extra solar system planets’ which was descriptive and fine, but it's just rather cumbersome. At some point they became ‘extra solar planets.’ Now I have never seen a planet inside the Sun. And therefore ‘extrasolar’ is not a good descriptor. ‘Exoplanets’ is OK, but now that there are so many of them that perhaps th
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Leclaire, Elise, Roger Cantagrel, Laurent Maignial, Guillaume Snakkers, and Gérald Ferrari. "Contribution to characterisation of young Cognac aroma." OENO One 33, no. 3 (1999): 133. http://dx.doi.org/10.20870/oeno-one.1999.33.3.1025.

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&lt;p style="text-align: justify;"&gt;This work relates our first result about the aroma description of new distilled Cognac spirits (without the ageing step in oak barrels) in terms of matching the sensory assessment, gas chromatography (GC) chemical analysis and GC-olfactometry. The wines were produced from vines growing in the Cognac allowed area (machine harvested grapes) and the double distillation « charentaise » in pot stills. The cellar masters of major Cognac companies selected ten spirits samples. The sensory panel proceeds to the overall aroma analysis in order to find the relevant
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41

Talens, Clara, Maider Lago, Eder Illanes, Ana Baranda, Mónica Ibargüen, and Elena Santa Cruz. "Development of the lexicon, trained panel validation and sensory profiling of new ready-to-eat plant-based "meatballs" in tomato sauce." Open Research Europe 2 (December 21, 2022): 145. http://dx.doi.org/10.12688/openreseurope.15360.1.

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Background: Providing educational content for children and parents can promote healthy nutritional habits. During the TITAN project, a pilot digital contest where participants have to developed ready-to-eat meatballs in sauce, using only plant-based ingredients, will be tested. The objective of this study was to develop the lexicon needed to objectively assess the sensory profile of this product. Methods: Eight judges were recruited and trained. Thirteen 1-hour sessions took place over three months. The steps followed were the selection of commercial reference, generation of descriptors, train
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Talens, Clara, Maider Lago, Eder Illanes, Ana Baranda, Mónica Ibargüen, and Elena Santa Cruz. "Development of the lexicon, trained panel validation and sensory profiling of new ready-to-eat plant-based "meatballs" in tomato sauce." Open Research Europe 2 (July 14, 2023): 145. http://dx.doi.org/10.12688/openreseurope.15360.2.

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Background: Providing educational content for children and parents can promote healthy nutritional habits. During the TITAN project, a pilot digital contest where participants have to developed ready-to-eat meatballs in sauce, using only plant-based ingredients, will be tested. The objective of this study was to develop the lexicon needed to objectively assess the sensory profile of this product. Methods: Eight judges were recruited and trained. Thirteen 1-hour sessions took place over three months. The steps followed were the selection of commercial reference, generation of descriptors, train
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43

Talens, Clara, Maider Lago, Eder Illanes, Ana Baranda, Mónica Ibargüen, and Elena Santa Cruz. "Development of the lexicon, trained panel validation and sensory profiling of new ready-to-eat plant-based "meatballs" in tomato sauce." Open Research Europe 2 (February 13, 2024): 145. http://dx.doi.org/10.12688/openreseurope.15360.3.

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Background Providing educational content for children and parents can promote healthy nutritional habits. During the TITAN project, a pilot digital contest where participants have to developed ready-to-eat meatballs in sauce, using only plant-based ingredients, will be tested. The objective of this study was to develop the lexicon needed to objectively assess the sensory profile of this product. Methods Eight judges were recruited and trained. Thirteen 1-hour sessions took place over three months. The steps followed were the selection of commercial reference, generation of descriptors, trainin
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Baruffini, Moreno. "Perceptions of Job Insecurity in Switzerland: Evidence Using Verbal and Numerical Descriptors." International Journal of Environmental Research and Public Health 16, no. 10 (2019): 1785. http://dx.doi.org/10.3390/ijerph16101785.

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The purpose of this paper is to examine perceptions of job insecurity among employees, applying a panel model that allows us to account for the business cycle. In addition, the data will enable the comparison of two measures of job insecurity, one with a cardinal scale, and one with an ordinal scale. First of all, this paper carries out a descriptive analysis of job insecurity, taking into consideration two empirical measures, and using a panel data set from the longitudinal Swiss Household Panel (SHP). Second, an ordered probability unit (probit) model is applied, analyzing both workers’ conc
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Santos, Silvana Sidney Costa, Bárbara Tarouco Da Silva, Edison Luiz Devos Barlem, and Russilene Da Silva Lopes. "O papel do enfermeiro na instituição de longa permanência para idosos." Revista de Enfermagem UFPE on line 2, no. 3 (2008): 291. http://dx.doi.org/10.5205/reuol.351-11415-1-le.0203200812.

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ABSTRACTThis update article propose is to enhance the gerontogeriatric nurse field and its aim was to identify the nurse role in the seniors’ long permanence institution. Through this propose, the data from gerontology and Nursing/Health bibliography, the acquired experience in work of permanent extension and, mainly, the authors' professional experience in seniors’ long permanence institution were used. Approached questions: nurse importance in a seniors long permanence institution; functions of a nurse in a seniors’ long permanence institution; nurse perspectives in a seniors’ long permanenc
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Nuyen Ti Tu, Hong, H. Valentová, J. Velíšek, J. Čepička, J. Pokorný, and F. Pudil. "Evaluation of beer quality by sensory analysis." Czech Journal of Food Sciences 18, No. 4 (2000): 137–42. http://dx.doi.org/10.17221/8332-cjfs.

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The flavour of pasteurised and stored beer was evaluated by a panel of 12 assessors. The sensory analysis consisted of combined hedonic evaluation and sensory profiling using unstructured graphical scales and 31 descriptors. The obtained results were evaluated by multivariate statistical methods (principal components analysis and linear discrimination analysis) which allow visualisation of relations between individual descriptors and samples and enable classification of samples to groups according to pasteurisation intensity and storage time.
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Ramzie Kelly Dago, Djedjro Clément Akmel, Emmanuel Assidjo, and Antoinette Yoboue. "Performance of evaluators in a descriptive analysis of black pepper (Piper nigrum l) from Ivory Coast." World Journal of Advanced Research and Reviews 26, no. 2 (2025): 133–40. https://doi.org/10.30574/wjarr.2025.26.2.1551.

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The objective of this study was to evaluate the performance of a panel in the sensory characterization of pepper from Ivory Coast through three criteria: discrimination, repeatability and agreement. Twelve trained panelists evaluated fresh, dry and ground pepper samples from seven localities during three sessions on twenty sensory descriptors. The analysis was performed by XLSTAT version 21 using the Friedman test at p&lt;0.05 and principal component analysis (PCA). The Friedman test revealed significant discrimination for all descriptors with the highest scores for Crunchy (631.22); Floury (5
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48

Niu, Yuhao, Lin Gu, Feng Lu, et al. "Pathological Evidence Exploration in Deep Retinal Image Diagnosis." Proceedings of the AAAI Conference on Artificial Intelligence 33 (July 17, 2019): 1093–101. http://dx.doi.org/10.1609/aaai.v33i01.33011093.

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Though deep learning has shown successful performance in classifying the label and severity stage of certain disease, most of them give few evidence on how to make prediction. Here, we propose to exploit the interpretability of deep learning application in medical diagnosis. Inspired by Koch’s Postulates, a well-known strategy in medical research to identify the property of pathogen, we define a pathological descriptor that can be extracted from the activated neurons of a diabetic retinopathy detector. To visualize the symptom and feature encoded in this descriptor, we propose a GAN based meth
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Silva, Luiz Almeida da, Pollyana Garcia Machado, Maria Lúcia Do Carmo Cruz Robazzi, Rita de Cássia De Marchi Barcellos Dalri, Sebastião Elias Da Silveira, and Aline Alcântara Pimenta. "The emergency unit nurse and her/his working difficulties: integrative literature review." Revista de Enfermagem UFPE on line 5, no. 10 (2011): 2552. http://dx.doi.org/10.5205/reuol.2133-15571-1-le.0510201129.

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ABSTRACT Objective: to analyze the publications on the nursing work in emergency sectors, stressing the precariousness and the difficulties that nurses experience for performing their duties in these settings. Method: it is an integrative literature review. An electronic search was carried out in the database LILACS and the virtual library SciELO within the period from 1999 to 2009, through the controlled descriptors available in the Health Sciences Descriptors. A total of 87 papers was obtained, which were submitted to the selection criteria; reading just their abstracts, it was obtained a to
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López-López, Sánchez-Gómez, Montaño, Cortés-Delgado, and Garrido-Fernández. "Panel and Panelist Performance in the Sensory Evaluation of Black Ripe Olives from Spanish Manzanilla and Hojiblanca Cultivars." Foods 8, no. 11 (2019): 562. http://dx.doi.org/10.3390/foods8110562.

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There is vast experience in the application of sensory analysis to green Spanish-style olives, but ripe black olives (≈1 × 106 kg for 2016/2017) have received scarce attention and panelists have less experience on the evaluation of this presentation. Therefore, the study of their performance during the assessment of this presentation is critical. Using previously developed lexicon, ripe olives from Manzanilla and Hojiblanca cultivars from different origins were sensory analysed according to the Quantitative Descriptive Analysis (QDA). The panel (eight men and six women) was trained, and the QD
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