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...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
BMC
2018-02-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s13321-018-0258-y |