Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Background Scripting languages such as Python are ideally suited to common programming tasks in cheminformatics such as data analysis and parsing information from files. However, for reasons of efficiency, cheminformatics toolkits such as the OpenBabel toolkit are often implemented in compiled langu...

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Bibliographic Details

Published in:	BMC chemistry Vol. 2; no. 1; p. 5
Main Authors:	O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 09.03.2008 Springer Nature B.V BioMed Central BMC
Subjects:	Biological Chemistry Chemistry Chemistry and Materials Science Chemistry/Food Science Data analysis Languages Python Software Toolkits Molecular Fingerprint Common Task Tanimoto Coefficient Python Module Python Language
ISSN:	1752-153X, 1752-153X, 2661-801X
Online Access:	Get full text
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