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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Veröffentlicht in:	BMC chemistry Jg. 2; H. 1; S. 5
Hauptverfasser:	O'Boyle, Noel M, Morley, Chris, Hutchison, Geoffrey R
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Cham Springer International Publishing 09.03.2008 Springer Nature B.V BioMed Central BMC
Schlagworte:	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-Zugang:	Volltext
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