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المؤلفون: Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
المصدر: Journal of Chemical Information and Modeling. 62:1905-1915
مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications
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المؤلفون: Sathesh Bhat, Leah L. Frye, Karen Akinsanya, Robert Abel
المصدر: Drug Discovery Today: Technologies. 39:111-117
مصطلحات موضوعية: Computers, business.industry, Drug discovery, Deep learning, Proteins, Cloud computing, Data science, Chemical space, Field (computer science), Variety (cybernetics), Machine Learning, Artificial Intelligence, Drug Design, Drug Discovery, Computer-aided, Computer-Aided Design, Molecular Medicine, Artificial intelligence, business
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المؤلفون: Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona M. McRobb, Sathesh Bhat, Mats Svensson, Art Bochevarov, Tyler Day, Markus K. Dahlgren, Jeffery A. Bell, Leah Frye, Robert J. Skene, James H. Lewis, James D. Osborne, Jason P. Tierney, James A. Gordon, Maria A. Palomero, Caroline Gallati, Robert S. L. Chapman, Daniel R. Jones, Kim L. Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa A. Dechaux, Andrea Taylor, Ross D. Waddell, Andrea Valentine, Holden B. Janssens, Omar Aziz, Dawn E. Bloomfield, Sandeep Ladha, Ian J. Fraser, John M. Ellard
المصدر: Journal of medicinal chemistry. 65(9)
مصطلحات موضوعية: D-Amino-Acid Oxidase, Structure-Activity Relationship, N-Methylaspartate, Drug Discovery, Schizophrenia, Serine, Molecular Medicine, Humans, Receptors, N-Methyl-D-Aspartate
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المؤلفون: Pieter H, Bos, Evelyne M, Houang, Fabio, Ranalli, Abba E, Leffler, Nicholas A, Boyles, Volker A, Eyrich, Yuval, Luria, Dana, Katz, Haifeng, Tang, Robert, Abel, Sathesh, Bhat
المصدر: Journal of chemical information and modeling. 62(8)
مصطلحات موضوعية: Central Nervous System, Drug Design, Drug Discovery, Amino Acids, Algorithms
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المؤلفون: Pieter H Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::88c2ba821dcd166570c44c7439ae5d47
https://doi.org/10.26434/chemrxiv-2021-m6k5f -
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المؤلفون: Karl Leswing, Joshua Staker, Pieter H. Bos, Kyle Marshall, Sathesh Bhat, Phani Ghanakota, Kyle D. Konze, Gabriel Marques, Robert Abel
المصدر: Journal of Chemical Information and Modeling. 60:4311-4325
مصطلحات موضوعية: Quantitative structure–activity relationship, Computer science, General Chemical Engineering, Cloud computing, Library and Information Sciences, Machine learning, computer.software_genre, 01 natural sciences, Machine Learning, Free energy perturbation, Drug Discovery, 0103 physical sciences, Enumeration, Computer Simulation, 010304 chemical physics, business.industry, Drug discovery, General Chemistry, Chemical space, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pathfinder, Workflow, Pharmaceutical Preparations, Artificial intelligence, business, Goals, computer
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المؤلفون: Markus K. Dahlgren, Robert Abel, Bortolato Andrea, Pieter H. Bos, Karl Leswing, Kyle D. Konze, Ivan Tubert-Brohman, Sathesh Bhat, Braxton Robbason
المصدر: Journal of Chemical Information and Modeling. 59:3782-3793
مصطلحات موضوعية: Models, Molecular, Computer science, General Chemical Engineering, Computational biology, Library and Information Sciences, 01 natural sciences, Machine Learning, Small Molecule Libraries, Drug Discovery, 0103 physical sciences, Enumeration, Humans, Protein Kinase Inhibitors, Hardware_MEMORYSTRUCTURES, 010304 chemical physics, biology, Drug discovery, Cyclin-Dependent Kinase 2, Cyclin-dependent kinase 2, General Chemistry, Chemical space, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Drug Design, biology.protein, Thermodynamics
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المؤلفون: Sathesh Bhat, Kyle D. Konze, Phani Ghanakota, Pieter H. Bos, Gabriel Marques, Karl Leswing, Kyle Marshall, Robert Abel, Joshua Staker
مصطلحات موضوعية: Profiling (computer programming), Quantitative structure–activity relationship, Computer science, business.industry, Drug discovery, Active learning (machine learning), Scale (chemistry), Machine learning, computer.software_genre, Chemical space, Enumeration, Artificial intelligence, business, Throughput (business), computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a295f99efe3522f4a557fedd89728ac8
https://doi.org/10.26434/chemrxiv.11825679 -
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المؤلفون: Kyle Konze, Pieter Bos, Markus Dahlgren, Karl Leswing, Ivan Tubert-Brohman, Andrea Bortolato, Braxton Robbason, Robert Abel, Sathesh Bhat
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1dff4130a2eaf3e9d67b8ea7828813bd
https://doi.org/10.26434/chemrxiv.7841270