ChemoPy: freely available python package for computational biology and chemoinformatics

Motivation: Molecular representation for small molecules has been routinely used in QSAR/SAR, virtual screening, database search, ranking, drug ADME/T prediction and other drug discovery processes. To facilitate extensive studies of drug molecules, we developed a freely available, open-source python...

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Bibliographic Details

Published in:	Bioinformatics Vol. 29; no. 8; pp. 1092 - 1094
Main Authors:	Cao, Dong-Sheng, Xu, Qing-Song, Hu, Qian-Nan, Liang, Yi-Zeng
Format:	Journal Article
Language:	English
Published:	England 15.04.2013
Subjects:	Bioinformatics Computational Biology - methods Databases, Chemical Drug Design Drugs Fingerprints Keys Ligands Packages Pharmaceutical Preparations - chemistry Quantum chemistry Software Topology
ISSN:	1367-4803, 1367-4811, 1367-4811, 1460-2059
Online Access:	Get full text
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