The Journal of Chemical Information and Modeling is a peer-reviewed scientific journal published by the American Chemical Society. It was established...
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American Chemical Society. The journal has absorbed two other publications in its history, the Journal of Analytical and Applied Chemistry (July 1893) and the...
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A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra...
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Cheminformatics (redirect from Chemical information)
"SMILES, a Chemical Language and Information System: 1: Introduction to Methodology and Encoding Rules". Journal of Chemical Information and Modeling. 28 (1):...
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Chemical Language and Information System: 1: Introduction to Methodology and Encoding Rules". Journal of Chemical Information and Modeling. 28 (1): 31–36...
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"Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited". Journal of Chemical Information and Modeling...
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Virtual screening (section Pharmacophore models)
Screening: Choosing the Right Query and Including Chemical Information". Journal of Chemical Information and Modeling. 49 (3): 678–692. doi:10.1021/ci8004226...
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Expanding Access to Trusted Chemical Information for the Scientific Community". Journal of Chemical Information and Modeling. 62 (11): 2737–2743. doi:10...
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The Journal of Chemical Education is a monthly peer-reviewed academic journal available in both print and electronic versions. It is published by the...
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models relate the predictor variables to a categorical value of the response variable. In QSAR modeling, the predictors consist of physico-chemical properties...
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Scoring functions for docking (category Molecular modelling)
"Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes". Journal of Chemical Information and Modeling. 46...
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Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules". Journal of Chemical Information and Modeling. 54...
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and Chemical Space". Journal of Chemical Information and Modeling. 62 (9): 2009–2010. doi:10.1021/acs.jcim.2c00390. PMID 35527682. Wikipedia Chemical...
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S. Joshua Swamidass (category University of California, Irvine alumni)
Accurately Predicting CYP-Mediated Sites of Metabolism with Neural Networks". Journal of Chemical Information and Modeling. 53 (12): 3373–3383. doi:10.1021/ci400518g...
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The Journal of Chemical Theory and Computation is a monthly peer-reviewed scientific journal, established in 2005 by the American Chemical Society. The...
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Drug design (category Design of experiments)
"Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes". Journal of Chemical Information and Modeling. 46...
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Docking (molecular) (category Molecular modelling)
for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design". Journal of Chemical Information and Modeling. 56 (1): 54–72. doi:10.1021/acs...
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Imputation (statistics) (redirect from Imputations of missing data)
"Practical Applications of Deep Learning to Impute Heterogeneous Drug Discovery Data". Journal of Chemical Information and Modeling. 60 (6): 2848–2857. doi:10...
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Sublimation (phase transition) (redirect from Chemical sublimation)
Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules". Journal of Chemical Information and Modeling. 54...
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Chemical Abstracts Service (CAS) is a division of the American Chemical Society. It is a source of chemical information and is located in Columbus, Ohio...
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Graph canonization (redirect from Canonical labelling of graphs)
Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm". Journal of Chemical Information and Modeling. 55 (10): 2111–2120. doi:10...
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CAS Registry Number (redirect from Chemical abstracts service registry number)
Expanding Access to Trusted Chemical Information for the Scientific Community". Journal of Chemical Information and Modeling. 62 (11): 2737–2743. doi:10...
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Peter Murray-Rust (category Members of the University of Cambridge Department of Chemistry)
Rzepa, H. S. (1999). "Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles". Journal of Chemical Information and Modeling. 39 (6): 928–942. CiteSeerX 10...
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of Chemical Education Journal of Chemical Information and Modeling Journal of Chemical Physics Journal of Chemical Sciences Journal of the Chemical Society...
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Metal-Binding Sites in Proteins from Backbone Preorganization". Journal of Chemical Information and Modeling. 61 (1): 311–323. doi:10.1021/acs.jcim.0c00827. hdl:10261/310255...
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Representation: Bridging the Gap between Bioinformatics and Cheminformatics". Journal of Chemical Information and Modeling. 51 (9): 2186–2208. doi:10.1021/ci2001988...
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Media type (redirect from List of common media types)
World Wide Web Information Exchange". Journal of Chemical Information and Modeling. 38 (6). American Chemical Society: 976–982. doi:10.1021/ci9803233...
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Copyright transfer agreement (redirect from Transfer of copyright)
person's point of view". Journal of Chemical Information and Modeling. 22 (2): 70–72. doi:10.1021/ci00034a001. Lagowski, J. (1982). "Journal Copyright Problems:...
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Enneahedron (redirect from Dual of tridiminished icosahedron)
twin graphs. Smallest pair of isospectral polyhedral graphs with eight vertices", Journal of Chemical Information and Modeling, 34 (2): 428–431, doi:10...
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Modeling Journal of Chemical Theory and Computation Journal of Medicinal Chemistry Journal of Natural Products Journal of Organic Chemistry Journal of...
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