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Items: 3

1.

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction.

Russo DP, Zorn KM, Clark AM, Zhu H, Ekins S.

Mol Pharm. 2018 Oct 1;15(10):4361-4370. doi: 10.1021/acs.molpharmaceut.8b00546. Epub 2018 Aug 28.

PMID:
30114914
2.

Assessment of Substrate-Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates.

Sandoval PJ, Zorn KM, Clark AM, Ekins S, Wright SH.

Mol Pharmacol. 2018 Sep;94(3):1057-1068. doi: 10.1124/mol.117.111443. Epub 2018 Jun 8.

PMID:
29884691
3.

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

Lane T, Russo DP, Zorn KM, Clark AM, Korotcov A, Tkachenko V, Reynolds RC, Perryman AL, Freundlich JS, Ekins S.

Mol Pharm. 2018 Oct 1;15(10):4346-4360. doi: 10.1021/acs.molpharmaceut.8b00083. Epub 2018 Apr 26.

PMID:
29672063

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