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Journal articles on the topic 'Chemo-Informatics'

Author: Grafiati

Published: 25 May 2024

Last updated: 31 July 2025

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1

Vandewiele, Nick M., Kevin M. Van Geem, Marie-Françoise Reyniers, and Guy B. Marin. "Genesys: Kinetic model construction using chemo-informatics." Chemical Engineering Journal 207-208 (October 2012): 526–38. http://dx.doi.org/10.1016/j.cej.2012.07.014.

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Hawash, Mohammed, Nidal Jaradat, Murad Abualhasan, et al. "Synthesis, chemo-informatics, and anticancer evaluation of fluorophenyl-isoxazole derivatives." Open Chemistry 19, no. 1 (2021): 855–63. http://dx.doi.org/10.1515/chem-2021-0078.

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Abstract The current study aimed to design and synthesize a novel series of fluorophenyl-isoxazole-carboxamide derivatives and evaluate their antiproliferative activities. Anticancer activities of the novel compounds were evaluated by MTS assay against four cancer cell lines, including liver (Hep3B, HepG2), cervical (HeLa), and breast (MCF-7), and α-fetoprotein tumor marker, cell cycle analysis, and annexin V tests. Chemo-informatics analysis showed that all synthesized derivatives 2a–2f obeyed Lipinski’s rule. Compound 2f was the most potent compound against Hep3B and Hep-G2 cancer cell lines

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Sreeramana, Aithal, K. Paul P., and Bhuimali A. "Business Informatics: A possible specialization of MSc-Information Science & Technology (IST): Challenges and Opportunities in Developing Countries Context." International Journal on Recent Researches in Science, Engineering & Technology 5, no. 10 (2017): 54–63. https://doi.org/10.5281/zenodo.1038399.

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Information is one of the important domains, which deals with computing, information studies, and principles. Informatics is concerned with so many activities such as information collection, selection, organization, processing, management, and dissemination. Informatics and Information Science are close domains and even in many countries, they are treated as the same domain with different nomenclatures only. Information Science is an Applied Science domain responsible for information solution and at the same time technological solutions of the wider community and society. Information Science i

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Kassab, Mohammed. "DEVELOPMENT OF NOVEL ANTIMICROBIAL TETRACYCLINE ANALOG B (IODOCYCLINE) BY CHEMO-INFORMATICS." Ain Shams Medical Journal 74, no. 1 (2023): 303–15. http://dx.doi.org/10.21608/asmj.2022.159722.1042.

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Kassab, Mohammed. "DEVELOPMENT OF NOVEL ANTIMICROBIAL TETRACYCLINE ANALOG B (IODOCYCLINE) BY CHEMO-INFORMATICS." Ain Shams Medical Journal 73, no. 4 (2022): 969–81. http://dx.doi.org/10.21608/asmj.2022.285476.

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Sreeramana, Aithal, and K. Paul P. "Bio Informatics in private universities in India: An Emerging Study on promotion of Biological Information Sciences." International Journal of Bioinformatics and Biological Sciences. 5, no. 1 (2017): 1–7. https://doi.org/10.5281/zenodo.1130818.

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Information Science is an interdisciplinary domain and plays a great role in the development at large. Information Science and Informatics normally treated as a synonym in academia worldwide. Information Science/Informatics is an applied science branch and thus with the combination of other areas and subject created many other knowledge cluster and field viz. Geo Information Science, Chemo Information Sciences, Environmental Information Science. Bio Information Sciences may be considered as a field of intersection of Biology and Information Science. Bio Informatics may be treated as one of the

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Suchita, Wamankar, Anshita Gupta, and Kaur Chanchal Deep. "In-silico Ligands Target Prediction of Potential Inhibitors against Dementia using Chemo Informatics Approach." Der Pharma Chemica 15, no. 6 (2023): 7. https://doi.org/10.5281/zenodo.13353372.

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Background: One of the most prevalent neurodegenerative diseases, dementia is characterized by gradual memory loss and cognitive impairment. It has a variety of neurological signs that affect memory, judgement and social skills. The variety of ligands that may be investigated using experimental assays has fallen with the help of efficient in silico drug design techniques. Methods: Through a review of the literature, seven phytochemicals that are effective against dementia were chosen for the current investigation. Using chemo-informatics tools like SWISS and the Molinspiration online server, t

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Wamankar, Suchita, Anshita Gupta, and Chanchal Deep Kaur. "In-silico Ligands Target Prediction of Potential Inhibitors against Dementia using Chemo Informatics Approach." DER PHARMA CHEMICA 15, no. 6 (2023): 7. https://doi.org/10.4172/0975-413X.15.6.154-165.

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Background: One of the most prevalent neurodegenerative diseases, dementia is characterized by gradual memory loss and cognitive impairment. It has a variety of neurological signs that affect memory, judgement and social skills. The variety of ligands that may be investigated using experimental assays has fallen with the help of efficient in silico drug design techniques. Methods: Through a review of the literature, seven phytochemicals that are effective against dementia were chosen for the current investigation. Using chemo-informatics tools like SWISS and the Molinspiration online server, t

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Bajorath, Jürgen. "Rational drug discovery revisited: interfacing experimental programs with bio- and chemo-informatics." Drug Discovery Today 6, no. 19 (2001): 989–95. http://dx.doi.org/10.1016/s1359-6446(01)01961-4.

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Stahura, Florence L., and Jürgen Bajorath. "Bio- and chemo-informatics beyond data management: crucial challenges and future opportunities." Drug Discovery Today 7, no. 11 (2002): S41—S47. http://dx.doi.org/10.1016/s1359-6446(02)02271-7.

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Tsochatzis, Emmanouil, Joao Alberto Lopes, Fabiano Reniero, Margaret Holland, Jenny Åberg, and Claude Guillou. "Identification of 1-Butyl-Lysergic Acid Diethylamide (1B-LSD) in Seized Blotter Paper Using an Integrated Workflow of Analytical Techniques and Chemo-Informatics." Molecules 25, no. 3 (2020): 712. http://dx.doi.org/10.3390/molecules25030712.

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The rapid dispersion of new psychoactive substances (NPS) presents challenges to customs services and analytical laboratories, which are involved in their detection and characterization. When the seized material is limited in quantity or of a complex nature, or when the target substance is present in very small amounts, the need to use advanced analytical techniques, efficient workflows and chemo-informatics tools is essential for the complete identification and elucidation of these substances. The current work describes the application of such a workflow in the analysis of a single blotter pa

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Scherbinina, Sofya I., and Philip V. Toukach. "Three-Dimensional Structures of Carbohydrates and Where to Find Them." International Journal of Molecular Sciences 21, no. 20 (2020): 7702. http://dx.doi.org/10.3390/ijms21207702.

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Analysis and systematization of accumulated data on carbohydrate structural diversity is a subject of great interest for structural glycobiology. Despite being a challenging task, development of computational methods for efficient treatment and management of spatial (3D) structural features of carbohydrates breaks new ground in modern glycoscience. This review is dedicated to approaches of chemo- and glyco-informatics towards 3D structural data generation, deposition and processing in regard to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation

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Lafata, Jennifer Elston, Stephen Harris, Megan Fasold, Audrey Holdren, and Hanna Kelly Sanoff. "Building a population management informatics infrastructure for oncology care." Journal of Clinical Oncology 37, no. 27_suppl (2019): 315. http://dx.doi.org/10.1200/jco.2019.37.27_suppl.315.

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315 Background: While most primary care practices have informatics infrastructures to support population management, such infrastructures are not commonplace in oncology. Yet, value-based care requires that oncology practices be able to identify patients in real time, use risk stratification to target care efficiently, and monitor care quality to identify improvement opportunities. We describe an oncology informatics infrastructure development initiative in a large academic medical center. Methods: We convened a quality improvement team of administrators, analysts, clinicians, health services

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Fazal, Maria, Salma Kanwal, Muhammad Taskeen Raza, and Asima Razzaque. "Exploring entropy measures with topological indices on colorectal cancer drugs using curvilinear regression analysis and machine learning approaches." PLOS One 20, no. 7 (2025): e0327369. https://doi.org/10.1371/journal.pone.0327369.

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A topological index is a numerical value derived from the structure of a molecule or graph that provides useful information about the molecule’s physical, chemical, or biological properties. These indices are especially important in chemo-informatics and QSAR/QSPR (Quantitative Structure-Activity Relationship/Quantitative Structure-Property Relationship) studies, where they are used to predict a wide range of properties without the need for experimental measurements. In essence, a topological index is a way to quantify the molecular structure in a form that can be used in mathematical models t

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Nepolraj, Amaladoss, Vasyl I. Shupeniuk, Manisekar Sathiyaseelan, and Nagamuthu Prakash. "Synthesis of new 3‐(hydroxymethyl)‐2‐phenyl‐2,3 dihydroquinolinone and in‐silico evaluation of COVID‐19 main protease inhibitor." Vietnam Journal of Chemistry 59, no. 4 (2021): 511–21. http://dx.doi.org/10.1002/vjch.202000221.

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AbstractAn exclusive approach towards the synthesis of novel 3‐(hydroxymethyl)‐2‐phenyl‐2,3 dihydroquinolin‐4(1H)‐one and it's in‐silico evaluation as inhibitor of COVID‐19 main protease. The one‐pot synthesis of an established procedure Claisen ester condensation reaction was sodium hydride mediated with intramolecular cyclization with solvent free conditions. The structures of the synthesized compound were confirmed by IR, 1H,13C NMR, and EI‐MS spectral studies. Chemo‐informatics study showed that the compound obeyed the Lipinski's rule, PASS, Swiss ADME. Computational docking analysis was p

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Pedretti, Alessandro, Luigi Villa, and Giulio Vistoli. "VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming." Journal of Computer-Aided Molecular Design 18, no. 3 (2004): 167–73. http://dx.doi.org/10.1023/b:jcam.0000035186.90683.f2.

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Hathout, Rania M., Sherweit H. El-Ahmady, and AbdelKader A. Metwally. "Curcumin or bisdemethoxycurcumin for nose-to-brain treatment of Alzheimer disease? A bio/chemo-informatics case study." Natural Product Research 32, no. 24 (2017): 2873–81. http://dx.doi.org/10.1080/14786419.2017.1385017.

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Kuznetsov, Julie Lawrence, Kathryn Bailey, Pacharintra K. Bombach, et al. "Real-time extraction of breast cancer treatment process and outcome measures from an EPIC electronic health record (EHR)." Journal of Clinical Oncology 31, no. 31_suppl (2013): 1. http://dx.doi.org/10.1200/jco.2013.31.31_suppl.1.

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1 Background: In 2011, Stanford Cancer Institute (SCI) clinical leadership began process improvements to enhance patient satisfaction and quality of care. To measure impacts, unnecessary care variation, and outcomes, we recently developed an informatics infrastructure utilizing data from our EHR (epic modules: BEACON, Cadence, OpTime). We report successful initial efforts including real-time cohort identification (comparing with “gold standard” registry data), and improvements in time to treatment. Methods: A cohort of 1,692 patients was defined by 3 criteria: newly evaluated at SCI, AND recei

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S, Monolisa, Monolisa S, Rajam K, Lancy Arokia, and Mary U. "Johan Zagreb Indices of Some Chemical Network Graphs." Indian Journal of Science and Technology 16, no. 35 (2023): 2902–6. https://doi.org/10.17485/IJST/v16i35.1556-icrms.

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Abstract Nowadays, molecular descriptors are the most significant invariants utilised in molecular modeling, and as a result, they are controlled by statistics, chemo metrics, and chemo informatics. Topological indices (TIs) are receiving more and more attention from chemists and biologists, because of their significance in QSPR (Quantitative Structure Property Relationships) and QSAR (Quantitative Structure Activity Relationships). In this, Johan Zagreb chromatic indices of some chemical network graphs are presented. <strong>Objectives:</strong> The major objective of this article i

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Singh, Sarvendra Vikram. "Bioinformatics – Supporting modern life science research, applications, and challenges." Brazilian Journal of Development 10, no. 2 (2024): e67060. http://dx.doi.org/10.34117/bjdv10n2-011.

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Bioinformatics is an interdisciplinary field that develops methods, software tools for understanding biological data and aims to investigate questions about biological composition, structure, function, and evolution of molecules, cells, tissues, and organisms using mathematics, informatics, statistics, and computer science. As we are moving towards the era of cutting-edge technologies there will be a lot of data to store, process and analyze. It offers analysis software for data studies and comparisons and provides tools for modeling, visualizing, exploring and interpreting data. It includes a

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Aziz Unnisa, Sirajuddin Anwar, Chettupalli Ananda K, et al. "The discovery of the natural compound Boeravinone-C as a potential antiobesity drug candidate targeting pancreatic lipase using chemo-informatics-based approaches." Cellular and Molecular Biology 69, no. 7 (2023): 57–65. http://dx.doi.org/10.14715/cmb/2023.69.7.10.

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Sato, Ryoma, Makoto Yamada, and Hisashi Kashima. "Constant Time Graph Neural Networks." ACM Transactions on Knowledge Discovery from Data 16, no. 5 (2022): 1–31. http://dx.doi.org/10.1145/3502733.

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The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods to huge graphs, such as social networks and Web graphs, remains a challenge. In particular, the existing methods for accelerating GNNs either are not theoretically guaranteed in terms of the approximation error or incurred at least a linear time computation cost. In this study, we reveal the query complexity of the uniform node sampling scheme for Message Pas

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Al-Jumaili, Mohammed Hadi Ali, and Muqdad Khairi Yahya Al hdeethi. "Study of Selected Flavonoid Structures and Their Potential Activity as Breast Anticancer Agents." Cancer Informatics 20 (January 2021): 117693512110551. http://dx.doi.org/10.1177/11769351211055160.

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Flavonoids contain pharmacological effects that help to protect cells from damage. However, the anticancer activity of flavonoids is related to their modulation of signal transduction pathways within cancer cells. Natural substances such as flavonoids have immune-stimulating anti-tumor effect that could lower breast cancer risk. However, various diseases included Alzheimer’s and cancer disease are associated with flavonoids intake due to their ability as antioxidant agent to alter essential cellular enzyme’s function. Therefore, through interaction between flavonoids and Cytochrome P450 (CYP)

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Zhu, Jianshen, Chenxi Wang, Aleksandar Shurbevski, Hiroshi Nagamochi, and Tatsuya Akutsu. "A Novel Method for Inference of Chemical Compounds of Cycle Index Two with Desired Properties Based on Artificial Neural Networks and Integer Programming." Algorithms 13, no. 5 (2020): 124. http://dx.doi.org/10.3390/a13050124.

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Inference of chemical compounds with desired properties is important for drug design, chemo-informatics, and bioinformatics, to which various algorithmic and machine learning techniques have been applied. Recently, a novel method has been proposed for this inference problem using both artificial neural networks (ANN) and mixed integer linear programming (MILP). This method consists of the training phase and the inverse prediction phase. In the training phase, an ANN is trained so that the output of the ANN takes a value nearly equal to a given chemical property for each sample. In the inverse

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Singh, Shripriya. "Decoding the sense of smell: understanding the structural organization within the brain." Biotechnology Kiosk 2, no. 7 (2020): 4–9. http://dx.doi.org/10.37756/bk.20.2.7.1.

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The olfactory sense is a potent sensory tool which helps us perceive our environment much better. However, smells despite being similar have different impacts on individuals. What makes one odor categorically different from the other and why do people have a unique and personalized experience with smell is an answer that needs to be addressed. In the present article we have discussed the research in which neuroscientists have decoded and described how the relationships between different odors are encoded in the brain. How the brain transforms information about odor chemistry into the perceptio

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Abbasi, Muhammad, Hussain Raza, Aziz Rehman, et al. "Synthesis, Antioxidant and In-Silico Studies of Potent Urease Inhibitors: N-(4-{[(4-Methoxyphenethyl)-(substituted)amino]sulfonyl}phenyl)acetamides." Drug Research 69, no. 02 (2018): 111–20. http://dx.doi.org/10.1055/a-0654-5074.

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AbstractIn this study, a new series of sulfonamides derivatives was synthesized and their inhibitory effects on DPPH and jack bean urease were evaluated. The in silico studies were also applied to ascertain the interactions of these molecules with active site of the enzyme. Synthesis was initiated by the nucleophilic substitution reaction of 2-(4-methoxyphenyl)-1-ethanamine (1) with 4-(acetylamino)benzenesulfonyl chloride (2) in aqueous sodium carbonate at pH 9. Precipitates collected were washed and dried to obtain the parent molecule, N-(4-{[(4-methoxyphenethyl)amino]sulfonyl}phenyl)acetamid

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Shams ul Hassan, Syed, Syed Qamar Abbas, Mubashir Hassan, and Hui-Zi Jin. "Computational Exploration of Anti-Cancer Potential of GUAIANE Dimers from Xylopia vielana by Targeting B-Raf Kinase Using Chemo-Informatics, Molecular Docking, and MD Simulation Studies." Anti-Cancer Agents in Medicinal Chemistry 22, no. 4 (2022): 731–46. http://dx.doi.org/10.2174/1871520621666211013115500.

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Background: Natural products from herbs are abundant and display powerful anti-cancer activities. Objectives: In the current study, B-Raf kinase protein (PDB: 3OG7), a potent target for melanoma, was tested against two guaiane-type sesquiterpene dimers, xylopin E-F, obtained from Xylopia vielana. Methods: In this work, a systematic in silico study using ADMET analysis, bioactivity score forecasts, and molecular docking along with its simulations was conducted to understand compounds’ pharmacological properties. Results: During ADMET predictions of both the compounds, xylopin E-F displayed a sa

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Ahmed, Attique, Pervaiz Ali Channar, Aamer Saeed, et al. "Synthesis of sulfonamide, amide and amine hybrid pharmacophore, an entry of new class of carbonic anhydrase II inhibitors and evaluation of chemo-informatics and binding analysis." Bioorganic Chemistry 86 (May 2019): 624–30. http://dx.doi.org/10.1016/j.bioorg.2019.01.060.

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Chikhale, Hemant U. "PERSPECTIVE INSIGHT AND APPLICATION OF IN-SILICO TOOL AS VIRTUAL SCREENING METHOD FOR LEAD DESIGNING AND DEVELOPMENT." Journal of Medical pharmaceutical and allied sciences 11, no. 6 (2021): 16–24. http://dx.doi.org/10.22270/jmpas.v10i6.1908.

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Humans are now in a bioinformatics and chemo informatics century, where we can foresee data across domains like as healthcare, the environmental, technology, and public health. The use of information sharing in silico methodologies has impacted sickness administration by predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) patterns of synthetic compounds and efficient and environmentally succeeding pharmaceuticals upfront. The purpose of lead discovery and design is to create the appearance of novel drug candidates that can attach to a specific illness cause. Th

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Dufoo-Hurtado, Elisa, Ivan Luzardo, Abraham Wall-Medrano, Guadalupe Loarca-Pina, and Rocio Campos-Vega. "Bioaccessibility and Synthesis of Chronobiotics During In Vitro Gastrointestinal Digestion of Pistachio (Pistacia vera L.) to Mitigate Diseases Linked to Chronodisruption." Current Developments in Nutrition 5, Supplement_2 (2021): 581. http://dx.doi.org/10.1093/cdn/nzab044_012.

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Abstract Objectives This research aimed to evaluate the in vitro chronobiotic potential of Phyto-melatonin (PTM) during gastrointestinal digestion, its fermentative behavior (phenolic acids and other compounds), and potential production of chronobiotics (short-chain fatty acids or SCFAs production). Methods The chemical and nutraceutical composition of dry roasted and salted pistachios with seed coat (SC) (PN + SC) and without (PN) was evaluated. Both samples were digested under static in vitro simulated physiological conditions comprising oral, gastric, intestinal, and colonic stages. The PTM

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Madiraju, Charitha, Shu-ichi Matsuzawa, Robert Ardecky, et al. "Discovery and Characterization of Chemical Inhibitors of UBC13." Blood 120, no. 21 (2012): 2950. http://dx.doi.org/10.1182/blood.v120.21.2950.2950.

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Abstract Abstract 2950 Poly-ubiquitination of signaling proteins via lysine 63 (K63)-linked chains is recognized as a critical post-translational modification involved in activation of NF-kB and stress kinases in the context of signaling by Tumor Necrosis Factor Receptors (TNFRs), Toll-like receptors (TLRs), and antigen receptors. UBC13 is a K63-specific ubiquitin conjugating enzyme that partners with TNFR-associated factors (TRAFs) to mediate K63-linked ubiquitination. Gene ablation studies have shown UBC13 is required for NF-kB signaling induced by a variety of stimuli in specific types of i

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Anjali, Tripathi, Nigam Harshita, and Khare Noopur. "The Discovery of Potential Acetyl Cholinesterase Inhibitors A Combination of Virtual Screening and Molecular Docking Studies." International Journal of Trend in Scientific Research and Development 2, no. 4 (2019): 1753–72. https://doi.org/10.31142/ijtsrd14389.

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In present scenario there are different terminologies which are used for categorizing the branches of computer aided drug designing like molecular modeling, theoretical chemistry, bioinformatics, computational chemistry, chemo informatics, computational biology, etc fundamental scientific developments in this field has shaped up even before computational sciences emerged as a prominent field in engineering. Alzheimer disease is the most widespread origin of mental turn off, or dementia. But dementia too has various additional causes. The description of this disease for the first time was given

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Koc, Soner, Vojislav Varjacic, Miona Rankovic, et al. "Abstract 5356: Collaborating to ensure data-driven drug discovery on the Cancer Genomics Cloud: Realizing the possibilities for MoDaC and ATOM." Cancer Research 83, no. 7_Supplement (2023): 5356. http://dx.doi.org/10.1158/1538-7445.am2023-5356.

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Abstract Introduction. The NCI-funded Cancer Genomics Cloud (CGC) and the NCI Predicative Oncology Model and Data Clearinghouse (MoDaC) advance NCI computing infrastructure and tools that aim to reduce the burden of cancer on patients. The CGC provides a collaborative cloud base computation infrastructure that collocates computation, bioinformatics workflows, and 3+ PB data to researchers. MoDaC provides a publicly available resource generated from the Joint Design of Advanced Computing Solutions for Cancer (JDACS4C) Program and the Accelerating Therapeutics for Opportunities in Medicine (ATOM

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Zini, Elisa Maria, Giordano Lanzola, Silvana Quaglini, Paolo Bossi, Lisa Licitra, and Carlo Resteghini. "A pilot study of a smartphone-based monitoring intervention on head and neck cancer patients undergoing concurrent chemo-radiotherapy." International Journal of Medical Informatics 129 (September 2019): 404–12. http://dx.doi.org/10.1016/j.ijmedinf.2019.06.004.

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Chen, Peixin, Shengyu Wu, Jia Yu, et al. "mRNA Network: Solution for Tracking Chemotherapy Insensitivity in Small-Cell Lung Cancer." Journal of Healthcare Engineering 2021 (September 28, 2021): 1–11. http://dx.doi.org/10.1155/2021/2105176.

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Background. Small-cell lung cancer (SCLC) has poor prognosis and is prone to drug resistance. It is necessary to search for possible influencing factors for SCLC chemotherapy insensitivity. Therefore, we proposed an mRNA network to track the chemotherapy insensitivity in SCLC. Methods. Six samples of patients with SCLC were recruited for RNA sequencing. TopHat2 and Cufflinks were used to make differential analysis. Functional analysis was applied as well. Finally, multidimensional validation was applied for verifying the results we obtained by experiment. Results. This study was a trial of dru

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Collins, Annette, Clare L. Burns, Elizabeth C. Ward, et al. "Home-based telehealth service for swallowing and nutrition management following head and neck cancer treatment." Journal of Telemedicine and Telecare 23, no. 10 (2017): 866–72. http://dx.doi.org/10.1177/1357633x17733020.

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Introduction Following (chemo)radiotherapy (C/RT) for head and neck cancer (HNC), patients return to hospital for regular outpatient reviews with speech pathology (SP) and nutrition and dietetics (ND) for acute symptom monitoring, nutritional management, and swallowing and communication rehabilitation. The aim of the current study was to determine the feasibility of a home-based telehealth model for delivering SP and ND reviews, to provide patients with more convenient access to these appointments. Methods Service outcomes, costs, and consumer satisfaction were examined across 30 matched parti

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Rahman, Muhammed Masudur, Paul N. Watton, Corey P. Neu, and David M. Pierce. "A chemo-mechano-biological modeling framework for cartilage evolving in health, disease, injury, and treatment." Computer Methods and Programs in Biomedicine 231 (April 2023): 107419. http://dx.doi.org/10.1016/j.cmpb.2023.107419.

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Ebrahimi Zade, Amir, Seyedhamidreza Shahabi Haghighi, and M. Soltani. "Deep neural networks for neuro-oncology: Towards patient individualized design of chemo-radiation therapy for Glioblastoma patients." Journal of Biomedical Informatics 127 (March 2022): 104006. http://dx.doi.org/10.1016/j.jbi.2022.104006.

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Stergiou, Ioanna, Konstantinos Kambas, Stavroula Giannouli, et al. "Autophagy in Myelodysplastic Syndromes: The Role of HIF-1a/REDD1 Molecular Pathway." Blood 132, Supplement 1 (2018): 1808. http://dx.doi.org/10.1182/blood-2018-99-112813.

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Abstract Background: Hypoxia is a prominent feature of the BM microenvironment, influencing both normal and malignant hematopoiesis. HIF-1α, which is a key regulator of hypoxia responses by mediating the transition to glycolytic metabolism, serves as a cell cycle checkpoint of HSC quiescence and function. It has been proposed that differential HIF-1α protein expression between hypoxic endosteal and less hypoxic vascular niche finely regulates normal hematopoiesis by promoting both quiescence and survival of HSCs, as well as proliferation and differentiation of HPCs. DNA damage response 1 gene

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Starenkiy, Viktor, Sergii Artiukh, Mykhaylo Ugryumov, Viktoriia Strilets, Serhii Chernysh, and Dmytro Chumachenko. "A Method for Assessing the Risks of Complications in Chemoradiation Treatment of Squamous Cell Carcinoma of the Head and Neck." Open Bioinformatics Journal 14, no. 1 (2021): 138–43. http://dx.doi.org/10.2174/18750362021140100138.

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Background: More than 500,000 new cases of squamous cell carcinoma of the head and neck (SCCHN) are registered annually in the world. 7,036 new cases of the disease were registered in Ukraine during 2018, about 35% of patients did not live even a year from the date of diagnosis as a modern standard for the treatment of patients with inoperable locally advanced SCCHN, chemoradiation treatment in the classical dose fractionation mode with chemo modification with cisplatin is used by specialists. Objective: The objective of this study is to analyze the effectiveness of chemoradiation treatment wi

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Cobb, Jared S., Maria A. Seale, and Amol V. Janorkar. "Evaluation of machine learning algorithms to predict the hydrodynamic radii and transition temperatures of chemo-biologically synthesized copolymers." Computers in Biology and Medicine 128 (January 2021): 104134. http://dx.doi.org/10.1016/j.compbiomed.2020.104134.

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Kamakura, T., M. Sakamoto, T. Odaka, Y. Nose, and K. Akazawa. "Patient Registration and Treatment Allocation in Multicenter Clinical Trials Using a FAX-OCR System." Methods of Information in Medicine 33, no. 05 (1994): 530–34. http://dx.doi.org/10.1055/s-0038-1635059.

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Abstract:This article describes the design and results of implementation of an automated patient registration and freatment allocation system (RETAS) used in multicenter clinical trials. RETAS was developed using a FAX-OCR system by which handwritten Japanese and English characters, as well as numericals and forms with check boxes, are sent from participating institutions by Fax, processed using an optical character reader, and then transmitted to a host computer at a statistical center. Based on the facsimile data, RETAS can automatically review eligibility, collect patient identification dat

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de Hond, Anne, Marieke van Buchem, Claudio Fanconi, et al. "Predicting Depression Risk in Patients With Cancer Using Multimodal Data: Algorithm Development Study." JMIR Medical Informatics 12 (January 18, 2024): e51925. http://dx.doi.org/10.2196/51925.

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Background Patients with cancer starting systemic treatment programs, such as chemotherapy, often develop depression. A prediction model may assist physicians and health care workers in the early identification of these vulnerable patients. Objective This study aimed to develop a prediction model for depression risk within the first month of cancer treatment. Methods We included 16,159 patients diagnosed with cancer starting chemo- or radiotherapy treatment between 2008 and 2021. Machine learning models (eg, least absolute shrinkage and selection operator [LASSO] logistic regression) and natur

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Taylor, Katherine J., Cecilie D. Amdal, Kristin Bjordal, et al. "Serious Long-Term Effects of Head and Neck Cancer from the Survivors’ Point of View." Healthcare 11, no. 6 (2023): 906. http://dx.doi.org/10.3390/healthcare11060906.

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The long-term problems of head and neck cancer survivors (HNCS) are not well known. In a cross-sectional international study aimed at exploring the long-term quality of life in this population, 1114 HNCS were asked to state their two most serious long-term effects. A clinician recorded the responses during face-to-face appointments. A list of 15 example problems was provided, but a free text field was also available. A total of 1033 survivors responded to the question. The most frequent problems were ‘dry mouth’ (DM) (n = 476; 46%), ‘difficulty swallowing/eating’ (DSE) (n = 408; 40%), ‘hoarsen

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Kassab, Mohammed M. "Design of novel antimicrobial tetracycline analog by chemo-informatics." Ain Shams Medical Journal, October 1, 2024, 0. http://dx.doi.org/10.21608/asmj.2022.157597.1039.

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Hatakeyama-Sato, Kan, Yasuhiko Igarashi, Takahiro Kashikawa, Koichi Kimura, and Kenichi Oyaizu. "Quantum circuit learning as a potential algorithm to predict experimental chemical properties." Digital Discovery, 2022. http://dx.doi.org/10.1039/d2dd00090c.

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We introduce quantum circuit learning (QCL) as an emerging regression algorithm for chemo- and materials-informatics. The supervised model, functioning on the rule of quantum mechanics, can process linear and smooth...

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Andújar, Ivan, Daviel Gomez, Lianny Perez, and Jose Carlos Lorenzo. "Use of Chemo-Informatics to Identify Molecular Descriptors of Auxins, Cytokinins and Gibberellins." Journal of Applied Bioinformatics & Computational Biology 07, no. 02 (2018). http://dx.doi.org/10.4172/2329-9533.1000151.

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Rai, Sumit Kumar, Rajesh Kumar Pathak, Dev Bukhsh Singh, Arun Bhatt, and Mamta Baunthiyal. "Chemo-informatics guided study of natural inhibitors targeting rho GTPase: a lead for treatment of glaucoma." In Silico Pharmacology 9, no. 1 (2021). http://dx.doi.org/10.1007/s40203-020-00061-y.

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Das, Jyotirekha, Fayaz Shaik Mahammad, and Rajanikant Golgodu Krishnamurthy. "An integrated chemo-informatics and in vitro experimental approach repurposes acarbose as a post-ischemic neuro-protectant." 3 Biotech 12, no. 3 (2022). http://dx.doi.org/10.1007/s13205-022-03130-5.

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Griesenauer, Rebekah H., Constantino Schillebeeckx, and Michael S. Kinch. "CDEK: Clinical Drug Experience Knowledgebase." Database 2019 (January 1, 2019). http://dx.doi.org/10.1093/database/baz087.

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Abstract The Clinical Drug Experience Knowledgebase (CDEK) is a database and web platform of active pharmaceutical ingredients with evidence of clinical testing as well as the organizations involved in their research and development. CDEK was curated by disambiguating intervention and organization names from ClinicalTrials.gov and cross-referencing these entries with other prominent drug databases. Approximately 43% of active pharmaceutical ingredients in the CDEK database were sourced from ClinicalTrials.gov and cannot be found in any other prominent compound-oriented database. The contents o

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