The Journal of Chemical Information and Modeling is a peer-reviewed scientific journal published by the American Chemical Society. It was established...
4 KB (226 words) - 12:12, 12 September 2024
American Chemical Society. The journal has absorbed two other publications in its history, the Journal of Analytical and Applied Chemistry (July 1893) and the...
5 KB (372 words) - 16:21, 25 May 2025
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):...
13 KB (1,260 words) - 18:15, 19 March 2025
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra...
28 KB (2,799 words) - 06:52, 26 January 2025
Chemical Language and Information System: 1: Introduction to Methodology and Encoding Rules". Journal of Chemical Information and Modeling. 28 (1): 31–36...
20 KB (1,943 words) - 06:10, 19 July 2024
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...
34 KB (4,019 words) - 21:27, 6 June 2025
"Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited". Journal of Chemical Information and Modeling...
11 KB (845 words) - 09:36, 29 May 2025
Expanding Access to Trusted Chemical Information for the Scientific Community". Journal of Chemical Information and Modeling. 62 (11): 2737–2743. doi:10...
32 KB (425 words) - 19:27, 12 June 2025
The Journal of Chemical Education is a monthly peer-reviewed academic journal available in both print and electronic versions. It is published by the...
2 KB (123 words) - 21:26, 23 June 2024
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...
22 KB (2,547 words) - 03:57, 27 May 2024
Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules". Journal of Chemical Information and Modeling. 54...
32 KB (4,370 words) - 18:27, 17 February 2024
models relate the predictor variables to a categorical value of the response variable. In QSAR modeling, the predictors consist of physico-chemical properties...
45 KB (4,454 words) - 12:37, 25 May 2025
and Chemical Space". Journal of Chemical Information and Modeling. 62 (9): 2009–2010. doi:10.1021/acs.jcim.2c00390. PMID 35527682. Wikipedia Chemical...
29 KB (3,237 words) - 11:57, 5 January 2025
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...
12 KB (1,226 words) - 01:42, 13 May 2025
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...
16 KB (1,523 words) - 00:15, 21 November 2024
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...
11 KB (1,022 words) - 20:28, 9 March 2025
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...
44 KB (5,022 words) - 12:47, 20 April 2025
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...
14 KB (1,331 words) - 01:00, 24 May 2025
The Journal of Chemical Theory and Computation is a monthly peer-reviewed scientific journal, established in 2005 by the American Chemical Society. The...
4 KB (232 words) - 11:46, 4 February 2025
of Chemical Education Journal of Chemical Information and Modeling Journal of Chemical Physics Journal of Chemical Sciences Journal of the Chemical Society...
8 KB (702 words) - 12:36, 27 August 2024
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...
10 KB (1,115 words) - 00:15, 31 May 2025
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...
21 KB (2,668 words) - 05:41, 19 April 2025
Ambergris (section Chemical properties)
Alexander (2004). "Combinatorial QSAR of Ambergris Fragrance Compounds" (PDF). Journal of Chemical Information and Modeling. 44 (2): 582–95. CiteSeerX 10.1...
23 KB (2,330 words) - 18:36, 24 May 2025
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...
34 KB (4,015 words) - 21:27, 6 June 2025
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...
3 KB (303 words) - 09:41, 5 January 2024
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...
23 KB (2,429 words) - 02:37, 7 April 2025
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...
19 KB (2,084 words) - 11:51, 29 May 2025
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:...
30 KB (3,313 words) - 08:21, 15 May 2025
Kenneth M. Merz Jr. (category University of Texas at Austin College of Natural Sciences alumni)
State University and editor-in-chief of American Chemical Society's Journal of Chemical Information and Modeling. A highly cited expert in his field,...
15 KB (1,436 words) - 17:28, 26 May 2025
Riboswitch (section Computational models)
Structure-Based Druggability Predictions for RNA Binding Sites". Journal of Chemical Information and Modeling. 61 (8): 4068–4081. doi:10.1021/acs.jcim.1c00155. ISSN 1549-9596...
41 KB (4,347 words) - 13:18, 11 June 2025