Open-source QSAR models for pKa prediction using multiple machine learning approaches
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Title
Open-source QSAR models for pKa prediction using multiple machine learning approaches
Authors
Keywords
pKa prediction, QSAR, DataWarrior, Machine learning, Chemical 2D descriptors, Chemical fingerprints, PaDEL
Journal
Journal of Cheminformatics
Volume 11, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2019-09-18
DOI
10.1186/s13321-019-0384-1
References
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