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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Podrobná bibliografia

Vydané v:	Bioinformatics Ročník 29; číslo 8; s. 1092 - 1094
Hlavní autori:	Cao, Dong-Sheng, Xu, Qing-Song, Hu, Qian-Nan, Liang, Yi-Zeng
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England 15.04.2013
Predmet:	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
On-line prístup:	Získať plný text
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