Journal of Chemical Information and Modeling

The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery.

Publisher
American Chemical Society
Impact factor
4.675 (2011)

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Medical research

Scientists present an effective drug toxicity prediction method

Researchers from Skoltech (Maxim Fedorov's group, CDISE) and the German Research Center for Environmental Health, Helmholtz Zentrum M√ľnchen (HMGU; Igor Tetko's group) have developed an enhanced drug candidate toxicity prediction ...