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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Vydané v:	Journal of cheminformatics Ročník 10; číslo 1; s. 4 - 14
Hlavní autori:	Moriwaki, Hirotomo, Tian, Yu-Shi, Kawashita, Norihito, Takagi, Tatsuya
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Cham Springer International Publishing 06.02.2018 BioMed Central Ltd BMC
Predmet:	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
On-line prístup:	Získať plný text
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