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Estimation of Octanol/Water Partition Coefficient and Aqueous Solubility of Environmental Chemicals Using Molecular Fingerprints and Machine Learning Methods

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posted on 2017-07-24, 15:17 authored by Qingda Zang, Kamel Mansouri, Richard Judson, 0000-0002-2348-9633
Presented at the Annual Society of Toxicology meeting

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MLRmultiple linear regressionrandom forest regressionRFToxicology

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