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Open Source QSAR Models For pKa Prediction Using Multiple Machine Learning Approaches

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posted on 2018-10-02, 14:01 authored by Kamel MansouriKamel Mansouri, Neal Cariello, Alex Korotcov, Valery TkachenkoValery Tkachenko, Warren Casey, Nicole Kleinstreuer, David Allen, Chris Grulke, Antony WilliamsAntony Williams
Poster presented at American Society for Cellular and Computational Toxicology (ASCCT) meeting in September 2018.

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    Center for Computational Toxicology and Exposure

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    pKadata modelingQSARDSSToxCompTox DashboardToxicology

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