Mordred: a molecular descriptor calculator

Abstract 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...

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Bibliographic Details
Main Authors: Hirotomo Moriwaki, Yu-Shi Tian, Norihito Kawashita, Tatsuya Takagi
Format: Article
Language:English
Published: BMC 2018-02-01
Series:Journal of Cheminformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s13321-018-0258-y