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Littérature scientifique sur le sujet « ADME database »

Auteur : Grafiati

Publié le 2 juin 2025

Mis à jour le 31 juillet 2025

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Articles de revues sur le sujet "ADME database"

Sun, L. Z., Z. L. Ji, X. Chen, J. F. Wang, and Y. Z. Chen. "ADME-AP: a database of ADME associated proteins." Bioinformatics 18, no. 12 (2002): 1699–700. http://dx.doi.org/10.1093/bioinformatics/18.12.1699.

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Deb, Subrata, Robert Hopefl, Anthony Allen Reeves, and Dena Cvetkovic. "ADME Gene-Related Pharmacogenomic Labeling of FDA-Approved Drugs: Comparison with Clinical Pharmacogenetics Implementation Consortium (CPIC) Evidence Levels." Medicines 11, no. 3 (2024): 6. http://dx.doi.org/10.3390/medicines11030006.

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Pharmacogenomics (PGx) can facilitate the transition to patient-specific drug regimens and thus improve their efficacy and reduce toxicity. The aim of this study was to evaluate the overlap of PGx classification for drug absorption, distribution, metabolism, and elimination (ADME)-related genes in the U.S. Food and Drug Administration (FDA) PGx labeling and in the Clinical Pharmacogenetics Implementation Consortium (CPIC) database. FDA-approved drugs and PGx labeling for ADME genes were identified in the CPIC database. Drugs were filtered by their association with ADME (pharmacokinetics)-relat

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Ravi, Kumar K. 1. *. Archana Giri 1. Rama Rao Nadendla 2. "INSILICO ADME PROFILING OF CDK9 INHIBITORS." Journal of Scientific Research in Pharmacy 7, no. 3 (2018): 30–34. https://doi.org/10.5281/zenodo.1207094.

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ABSTRACT Several drug targets have been identified in fighting against cancer. Inhibition of Cell cycle is one of the strategies used in anti-cancer research.   CDKs [Cyclin Dependent Kinases] were found to be one of the promising drug targets. This work aims to find a potential molecule to inhibit CDKs that are involved in cell cycle progression. CDK 9 was chosen as potential drug target for cancer.  Virtual screening was carried out against CDK 9 protein using Molecular Docking tools with molecules from ZINC database. Mol

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Prasad, Bhagwat, Marc Vrana, Prachi Jha, Vivek Nautiyal, Deepak Kumar Bhatt, and Jingtian Zheng. "ADME QPrOmicstm mrm database: A repository of validated LC-MS/MS methods for ADME protein quantification." Drug Metabolism and Pharmacokinetics 32, no. 1 (2017): S42. http://dx.doi.org/10.1016/j.dmpk.2016.10.180.

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Bououden, Walid, and Yacine Benguerba. "Designing, Cytotoxic Evaluation, Molecular Docking and in Silico Pharmacokinetic Prediction of New Hydrocortisone Derivatives as Anti-Asthmatics Drugs." Journal of Drug Delivery and Therapeutics 10, no. 4 (2020): 8–16. http://dx.doi.org/10.22270/jddt.v10i4.4128.

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A series of new 20 corticosteroids were subjected to molecular property prediction. The Molecular, Physicochemical, and Biological properties were determined using Molinspiration Cheminformatics software. These compounds were further subjected to Toxicity Predictions using the Osiris Software. The calculated drug-related properties of the designed molecules were similar to those found in most marketed drugs. Amongst the proposed molecules, fourteen promising candidates can be considered as promising structures for the synthesis of new and more effective anti-asthmatic drugs. Result indicates t

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Sharma, Aastha, Nitish Banga, Rakesh Kumar Marwaha, and Balasubramanian Narasimhan. "Identification of novel potential benzimidazole derivatives by pharmacophore generation, 3D-QSAR, virtual screening, molecular docking and ADME/ TOX analysis against breast cancer as targeted estrogen alpha receptor." Journal of Applied Pharmaceutical Research 13, no. 2 (2025): 149–63. https://doi.org/10.69857/joapr.v13i2.951.

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Background: The estrogen alpha receptor (ERα) is critical in breast carcinogenesis. Although selective estrogen receptor modulators like tamoxifen are clinically used, their adverse effects highlight the need for safer alternatives. The study uses computational methods to identify potential ERα inhibitors within a benzimidazole scaffold. Methodology: This study employed computational approaches, including pharmacophore generation, 3D-QSAR, virtual screening, molecular docking, and in silico ADME/Tox analysis. The best pharmacophore model (DDRRR_1) identified two hydrogen donors and three aroma

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R, Thirumalaisamy. "Comparative Anti–Alzheimer’s Potential Evaluation of Curcumin and Curcumin Analogues obtained from ZINC Database: An in-Silico Validation." TEXILA INTERNATIONAL JOURNAL OF PUBLIC HEALTH 9, no. 4 (2021): 269–83. http://dx.doi.org/10.21522/tijph.2013.09.04.art023.

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Curcumin and its eleven analogues obtained from the ZINC database were screened for its anti-Alzheimer’s potential validated through in silico approach. Curcumin, eleven curcumin analogues from the ZINC database, and six standard anti-Alzheimer’s drugs were obtained from SWISS ADME and Pub chem database. All obtained molecules were subjected to drug-likeness, molecular docking, and ADMET analysis. Curcumin and eleven curcumin analogues show no violations against five drug-likeness rules, whereas 2 standard drugs (CID¬_11269353, CID_46883536) out of 5 screened standard drug molecules shows viol

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Aman, La Ode, Rahmana Emran Kartasasmita, and Daryono Hadi Tjahjono. "Virtual screening of curcumin analogues as DYRK2 inhibitor: Pharmacophore analysis, molecular docking and dynamics, and ADME prediction." F1000Research 10 (May 17, 2021): 394. http://dx.doi.org/10.12688/f1000research.28040.1.

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Background: Curcumin reduces the proliferation of cancer cells through inhibition of the DYRK2 enzyme, which is a positive regulator of the 26S proteasome. Methods: In the present work, curcumin analogues have been screened from the MolPort database using a pharmacophore model that comprised a ligand-based approach. The result of the screening was then evaluated by molecular docking and molecular dynamics based on binding the free energy of the interaction between each compound with the binding pocket of DYRK2. The hit compounds were then confirmed by absorption, distribution, metabolism, and

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Amaku, F. J., I. E. Otuokere, K. K. Igwe, and O. V. Ikpeazu. "Design of Potential SARS-CoV-2 Inhibitor." European Journal of Engineering Research and Science 5, no. 9 (2020): 1043–48. http://dx.doi.org/10.24018/ejers.2020.5.9.2058.

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This computational study comprises of pharmacophore-base virtual screening of the ZINC database, molecular docking of predicted ligands (pharmacophore agent) against the target protein, SARS-CoV-2 (PDB ID: 5r7y) and the prediction of ADMET descriptors using Swiss ADME and PROTOX-II online web servers. Meanwhile, remdesivir, ZINC72392503, ZINC72809903, ZINC06560017, ZINC76101700, ZINC88423098 and ZINC91600695 had a docking scores of -2.0 Kcal/mol, -6.7 Kcal/mol, -6.4 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol, -6.0 Kcal/mol and-6.0 Kcal/mol respectively. Meanwhile, ZINC72392503 was selected as the

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Amaku, F. J., I. E. Otuokere, K. K. Igwe, and O. V. Ikpeazu. "Design of Potential SARS-CoV-2 Inhibitor." European Journal of Engineering and Technology Research 5, no. 9 (2020): 1043–48. http://dx.doi.org/10.24018/ejeng.2020.5.9.2058.

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Thèses sur le sujet "ADME database"

Szoltys, Kryštof. "Parametrické CAD systémy a databáze součástí." Master's thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2009. http://www.nusl.cz/ntk/nusl-217957.

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Autodesk Inventor is a full 3D CAD system. This system includes tools for working environment tool, component design tool including information data management and technical support. The target of the first part is to describe the most important new features brought by Autodesk Inventoru 2009 version. In of next chapters the work describes creation common iPart, which is basically different variants set (proportions, material …) of one entity, and preparation before correct publication to the content center, which is a virtual database of all iPart. Also there is presented how to create the co

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Ueal, Jr Ozell. "An Evaluation of Robotics in Nursing Homes to Reduce Adverse Drug Events." ScholarWorks, 2016. https://scholarworks.waldenu.edu/dissertations/3330.

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Adverse drug events (ADE) cause many deaths annually in addition to affecting the quality of life of many others. The descriptive mixed methods approach, specifically exploratory case study and experimental design that guided this research utilized the survey and focus group methods to evaluate perceptions about robotic technology (RT) to reduce the rate of ADEs in U.S. nursing homes (NH). There is a lack of scholarly research into whether a conceptual approach rooted in RT can be implemented to assist with drug administrations in NHs. The purpose of this study was twofold. The first purpose w

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Livres sur le sujet "ADME database"

Cao, Longbing. Advanced Data Mining and Applications: 6th International Conference, ADMA 2010, Chongqing, China, November 19-21, 2010, Proceedings, Part II. Springer Berlin Heidelberg, 2010.

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Zhou, Shuigeng. Advanced Data Mining and Applications: 8th International Conference, ADMA 2012, Nanjing, China, December 15-18, 2012. Proceedings. Springer Berlin Heidelberg, 2012.

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ADMI 2010 (2010 Toronto, Ont.). Agents and data mining interaction: 6th International Workshop on Agents and Data Mining Interaction, ADMI 2010, Toronto, On, Canada, May 11, 2010 : revised selected papers. Springer, 2010.

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Kim, Chi-in. Yumul chŏngbo kwalli teit'ŏbeisŭ ŭi kwan'gye hyŏng model kwa kaech'e chihyang hyŏng model pigyo yŏn'gu: Model KJI-ADB1 kwa model KJI-ADBE chesi : munhak sŏksa hagwi nonmun. 2000.

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Ling, Charles X., Nick Cercone, Xiaofang Zhou, Xue Li, and Changjie Tang. Advanced Data Mining and Applications: 4th International Conference, ADMA 2008, Chengdu, China, October 8-10, 2008, Proceedings. Springer, 2008.

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Wang, Sen, Jianxin Li, Shuliang Wang, Xue Li, and Shaowen Qin. Advanced Data Mining and Applications: 15th International Conference, ADMA 2019, Dalian, China, November 21–23, 2019, Proceedings. Springer, 2019.

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Li, Jianzhong, Hong Gao, Reda Alhajj, Xue Li, and Osmar R. Zaiane. Advanced Data Mining and Applications: Third International Conference, ADMA 2007, Harbin, China, August 6-8, 2007 Proceedings. Springer London, Limited, 2007.

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Gan, Guojun, Shuliang Wang, Xue Li, and Bohan Li. Advanced Data Mining and Applications: 14th International Conference, ADMA 2018, Nanjing, China, November 16–18, 2018, Proceedings. Springer, 2018.

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Li, Xue, Osmar R. Zaiane, and Zhanhuai Li. Advanced Data Mining and Applications: Second International Conference, ADMA 2006, Xi'an, China, August 14-16, 2006, Proceedings. Springer London, Limited, 2006.

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Wang, Shuliang, Zhao Yang Dong, and Xue Li. Advanced Data Mining and Applications: First International Conference, ADMA 2005, Wuhan, China, July 22-24, 2005, Proceedings. Springer London, Limited, 2003.

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Chapitres de livres sur le sujet "ADME database"

Joy, Christy, and Marria C. Cyriac. "Phytochemicals as Potential Drug Candidates for SARS Cov-2: An RDRp Based In-Silico Drug Designing." In Proceedings of the Conference BioSangam 2022: Emerging Trends in Biotechnology (BIOSANGAM 2022). Atlantis Press International BV, 2022. http://dx.doi.org/10.2991/978-94-6463-020-6_7.

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AbstractThe global pandemic that the world is currently witnessing, COVID-19, even with vaccines available, the test positivity rate (TPR) tends to remain highly threatening. This research focuses on identifying phytochemicals, previously known for their broad-spectrum antiviral properties which can be potential drug candidates for theSARS-CoV-2. A total of 225 phytocompounds (downloaded from PubChem database) are docked against targetprotein (downloaded from PDB database) of SARS-CoV-2using the POAP pipeline. The target protein is the RDRp complex. They are screened according to their binding

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Olmedo-Aguirre, Oscar, Karina Escobar-Vázquez, Giner Alor-Hernández, and Guillermo Morales-Luna. "ADM: An Active Deductive XML Database System." In MICAI 2004: Advances in Artificial Intelligence. Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-540-24694-7_15.

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Gao, Ya, Shaoxiong Ji, Tongxuan Zhang, Prayag Tiwari, and Pekka Marttinen. "Contextualized Graph Embeddings for Adverse Drug Event Detection." In Machine Learning and Knowledge Discovery in Databases. Springer International Publishing, 2023. http://dx.doi.org/10.1007/978-3-031-26390-3_35.

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AbstractAn adverse drug event (ADE) is defined as an adverse reaction resulting from improper drug use, reported in various documents such as biomedical literature, drug reviews, and user posts on social media. The recent advances in natural language processing techniques have facilitated automated ADE detection from documents. However, the contextualized information and relations among text pieces are less explored. This paper investigates contextualized language models and heterogeneous graph representations. It builds a contextualized graph embedding model for adverse drug event detection.

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Tang, Yu, Zhigang Kan, Dequan Sun, et al. "ADMMiRNN: Training RNN with Stable Convergence via an Efficient ADMM Approach." In Machine Learning and Knowledge Discovery in Databases. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-67661-2_1.

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Chen, ChungMin Melvin, and Nicholas Roussopoulos. "The implementation and performance evaluation of the ADMS query optimizer: Integrating query result caching and matching." In Advances in Database Technology — EDBT '94. Springer Berlin Heidelberg, 1994. http://dx.doi.org/10.1007/3-540-57818-8_61.

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Santhanavanich, Thunyathep, Rosanny Sihombing, Pithon Macharia Kabiro, Patrick Würstle, and Sabo Kwado Sini. "Storing and Visualising Dynamic Data in the Context of Energy Analysis in the Smart Cities." In iCity. Transformative Research for the Livable, Intelligent, and Sustainable City. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-92096-8_16.

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AbstractThere is increased activity in developing workflows and implementations in the context of urban energy analysis simulation based on 3D city models in smart cities. At the University of Applied Sciences Stuttgart (HFT Stuttgart), an urban energy simulation platform called ‘SimStadt’ has successfully been developed. It uses the CityGML 3D city model to simulate the heat demand, photovoltaic potential, and other scenarios that provide dynamic simulation results in both space and time dimensions. Accordingly, a tool for managing dynamic data of the CityGML models is required. Earlier, the

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Zhang, Xianbin, and Caihong Wang. "Exploration on Anti-Depression Mechanism of Baihe Zhimu Decoction Based on Network Pharmacology and Molecular Docking." In Studies in Health Technology and Informatics. IOS Press, 2023. http://dx.doi.org/10.3233/shti230868.

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Objective: To analyze anti-depression mechanism of Baihe Zhimu decoction (BZD) based on network pharmacology method, which provides reference for the development of new drugs and the clinical application of classical prescriptions. Method: The main chemical components and targets of Baihe and Zhimu were obtained through traditional Chinese medicine pharmacology system technology platform (TCMSP) database, and the active components of TCM were filtered according to ADME; Major targets for anti-depression were get through Gencards, OMIM and DRUGBANK databases; Protein interaction analysis was pe

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A. Badria, Farid, and Mohamed Foda. "Perspective Chapter: Integrated Network Pharmacology and Multiomics Approach to Elucidate the Repositioning of Fatal Food Toxins to Lifesaving Anticancer Drug." In Poisoning - Prevention, Diagnosis, Treatment and Poison Repurposing. IntechOpen, 2024. http://dx.doi.org/10.5772/intechopen.112789.

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This research investigates repurposing potato glycoalkaloids as lifesaving anticancer drugs. There is integration of network pharmacology with multiomics. Solanine, chaconine, and their hydrolysis products’ pharmacokinetics were tested using SwissADME. Solanine and chaconine targets were identified via reverse pharmacophore mapping. Through database mining, 26 solanine and chaconine targets were found in cancer genes. To understand gene function, KEGG and GO analyses were done. STRING was used to create a protein-protein interaction network to find similarities between chemicals and cancer. To

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Le Duff Franck, Burgun Anita, Pouliquen Bruno, Delamarre Denis, and Le Beux Pierre. "Automatic enrichment of the Unified Medical Language System starting from the ADM knowledge base." In Studies in Health Technology and Informatics. IOS Press, 1999. https://doi.org/10.3233/978-1-60750-912-7-881.

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The Unified Medical Language System (UMLS) project aims to provide a repository of terms, concepts and relationships from several medical classifications. This work describes the possibility to enrich automatically with meaningful links the UMLS database by using description of diseases from another knowledge base, in our case ADM (Aide au Diagnostic Medical). In spite of the constraints and the difficulties to qualify the interconcept links, the results show that it is possible to find and create new links from a french knowledge database to the UMLS one. One of the interests of this work is

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Lu, Chen, Limin Ma, Haozhen Wang, et al. "A Network Pharmacology Study to Explore Mechanism of the Drug Pair of Astragalus-Saposhnikoviae Radix in the Treatment of Allergic Rhinitis." In Computer Methods in Medicine and Health Care. IOS Press, 2021. http://dx.doi.org/10.3233/atde210242.

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Allergic rhinitis (AR) has now become one of the major diseases affecting people’s lives, and Traditional Chinese medicine (TCM) always has good efficacy in clinical treatment. In the present study, we analyzed the most frequently used drug pair of Astragalus-Saposhnikoviae Radix (SR) in prescriptions for the treatment of allergic rhinitis by network pharmacology to reveal the modern pharmacological mechanisms of drug prevention and treatment of the disease. Firstly, the 38 active ingredients with good ADME properties from the Astragalus-SR drug pair were collected from the database, and the c

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Actes de conférences sur le sujet "ADME database"

Araújo, Louisy Carvalho, Marina Crispim Sarmento, Nicole Sarmento Queiroga, Lucas Vinicius Rafael Figueiredo, and Michelle Salles Barros de Aguiar. "Acute disseminated encephalomielite and Covid-19 - a literature review." In XIII Congresso Paulista de Neurologia. Zeppelini Editorial e Comunicação, 2021. http://dx.doi.org/10.5327/1516-3180.396.

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Background: The infection caused by SARS-CoV-2 is associated with several neurological manifestations. Among these, acute disseminated encephalomyelitis (ADEM), an immune-mediated disease, has a reasonable incidence. In this context, the absence of direct viral infection of the CNS and late presentation of the condition corroborate to the hypothesis of an immune relationship. Objectives: Describe the relation between acute disseminated encephalomyelitis and COVID-19 infection. Design and setting: Literature review, held at the University Center of João Pessoa, located in the city of João Pesso

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Garcia-Rodriguez de Guzman, I., M. Polo, and M. Piattini. "An ADM Approach to Reengineer Relational Databases towards Web Services." In 2007 14th Working Conference on Reverse Engineering. IEEE, 2007. http://dx.doi.org/10.1109/wcre.2007.9.

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Likaj, Ramë, Gëzim Hoxha, and Albi Macula. "Enhancing cost efficiency in manufacturing through 3c an excel based solution." In International Scientific and Technical Conference Automation of Discrete Production Engineering ADP 2025. Az-buki National Publishing House, 2025. https://doi.org/10.53656/adpe-2025.01.

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Manufacturing cost estimation is crucial for improving production efficiency and competitiveness. This paper describes a responsive and real Production Cost Program that is structured as an interactive form that incorporates data analysis for a variety of production processes such as milling, drilling, laser cutting, and water jet cutting. The system uses the supplied data to select the best processing methods, assuring accurate cost calculations. The user interface acts as a structured questionnaire, requiring users to enter essential parameters such as materials, machining procedures, and pr

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Arroyos, Marina Roche, Xavier Bertolí, Fancisco Diaz, Didac Didac, Cano Pablo, and Salat Roger. "Virtual Modelling of Real- Driving Conditions for Early Evaluation and Validation of Vehicles Design." In FISITA World Congress 2021. FISITA, 2021. http://dx.doi.org/10.46720/f2021-adm-130.

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"The vehicle validation at the end of the development process has to guarantee the vehicle will fulfill the expected reliability, consumption, emission, safety and performances in the variety of possible use- case scenarios, ranging from city to hilly roads and autobahnsmotorways, from extremely hot to extremely cold conditions and from gentle to aggressive driving. IDIADA is a leading company in validation for real- driving conditions, conducting over 15.000.000 km per year in the five continents. However, problem-solving in the validation phase is commonly difficult and expensive. For this r

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Pratama, Galang Airlangga, Khaerul Manaf, and SW Pitara. "ANALISIS ARSITEKTUR ENTERPRISE MENGGUNAKAN TOGAF ADM VERSI 9.2 PADA PT. INDUSTRI TELEKOMUNIKASI INDONESIA (PERSERO)." In Seminar Sosial Politik, Bisnis, Akuntansi dan Teknik (SoBAT) ke-3. LPPM USB YPKP, 2021. http://dx.doi.org/10.32897/sobat3.2021.41.

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Pesatnya perkembangan teknologi informasi dan perubahan lingkungan organisasi memaksa perusahaan untuk beradaptasi agar mampu mempertahankan eksistensi organisasi dalam jangka panjang, sehingga diperlukan suatu model dalam perencanaan, perancangan dan pengelolaan organisasi. sistem informasi dan teknologi informasi untuk membantu mengoptimalkan. PT Industri Telekomunikasi Indonesia (Persero) juga dikenal sebagai PT. INTI (Persero) fokus pada lini bisnis di bidang manufaktur dan perakitan, layanan terkelola, layanan digital, dan integrator sistem. PT. INTI (Persero) telah menerapkan sistem info

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