Mordred: a molecular descriptor calculator

Molecular descriptors are widely employed to present molecular characteristics in cheminformatics. Various molecular-descriptor-calculation software programs have been developed. However, users of those programs must contend with several issues, including software bugs, insufficient update frequenci...

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Veröffentlicht in:	Journal of cheminformatics Jg. 10; H. 1; S. 4 - 14
Hauptverfasser:	Moriwaki, Hirotomo, Tian, Yu-Shi, Kawashita, Norihito, Takagi, Tatsuya
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Cham Springer International Publishing 06.02.2018 BioMed Central Ltd BMC
Schlagworte:	Calculation software Cheminformatics Chemistry Chemistry and Materials Science Computational Biology/Bioinformatics Computer Applications in Chemistry Documentation and Information in Chemistry Molecular descriptor Python QSPR Software Software licensing Suites (Software) Theoretical and Computational Chemistry QSPR Cheminformatics Molecular descriptor Calculation software Python
ISSN:	1758-2946, 1758-2946
Online-Zugang:	Volltext
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