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

Published Online: 2019-09-18

Published Print: 2019-12

Authors

Mansouri, Kamel http://orcid.org/0000-0002-6426-8036
Cariello, Neal F. http://orcid.org/0000-0001-6135-752X
Korotcov, Alexandru

Tkachenko, Valery

Grulke, Chris M. http://orcid.org/0000-0001-5606-7560
Sprankle, Catherine S. http://orcid.org/0000-0001-9436-5673
Allen, David

Casey, Warren M.

Kleinstreuer, Nicole C. http://orcid.org/0000-0002-7914-3682
Williams, Antony J. http://orcid.org/0000-0002-2668-4821
License Information

Text and Data Mining valid from 2019-09-18

Version of Record valid from 2019-09-18
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Article History

Received: 23 May 2019

Accepted: 3 September 2019

First Online: 18 September 2019

Competing interests

: The authors declare that they have no competing interests.

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