canSAR chemistry registration and standardization pipeline

canSAR chemistry registration and standardization pipeline

Abstract Background Integration of medicinal chemistry data from numerous public resources is an increasingly important part of academic drug discovery and translational research because it can bring a wealth of important knowledge related to compounds in one place. However, different data sources c...

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Bibliographic Details
Main Authors: Daniela Dolciami, Eloy Villasclaras-Fernandez, Christos Kannas, Mirco Meniconi, Bissan Al-Lazikani, Albert A. Antolin
Format: Article
Language:English
Published: BMC 2022-05-01
Series:Journal of Cheminformatics
Subjects:
canSAR
KNIME
Standardization
Tautomerism
Compound hierarchy
FDA-approved drugs
Online Access:https://doi.org/10.1186/s13321-022-00606-7

Internet

https://doi.org/10.1186/s13321-022-00606-7

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