Open-source QSAR models for pKa prediction using multiple machine learning approaches

Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams. Open-source QSAR models for pKa prediction using multiple machine learning approaches. J. Cheminformatics, 11(1), 2019. [doi]

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