QNA-Based Prediction of Sites of Metabolism.
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ABSTRACT:
SUBMITTER: Tarasova O
PROVIDER: S-EPMC6149875 | biostudies-other | 2017 Dec
REPOSITORIES: biostudies-other
Publications
QNA-Based Prediction of Sites of Metabolism.
Tarasova Olga O Rudik Anastassia A Dmitriev Alexander A Lagunin Alexey A Filimonov Dmitry D Poroikov Vladimir V
Molecules (Basel, Switzerland) 20171201 12
Metabolism of xenobiotics (Greek <i>xenos</i>: exogenous substances) plays an essential role in the prediction of biological activity and testing for the subsequent research and development of new drug candidates. Integration of various methods and techniques using different computational and experimental approaches is one of the keys to a successful metabolism prediction. While multiple structure-based and ligand-based approaches to metabolism prediction exist, the most important problem arises ...[more]
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