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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...

Полное описание

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Библиографические подробности
Опубликовано в: :J Cheminform
Главные авторы: Moriwaki, Hirotomo, Tian, Yu-Shi, Kawashita, Norihito, Takagi, Tatsuya
Формат: Artigo
Язык:Inglês
Опубликовано: Springer International Publishing 2018
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC5801138/
https://ncbi.nlm.nih.gov/pubmed/29411163
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0258-y
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