Sheridan RP - Search Results

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Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A. Muratov EN, et al. Among authors: sheridan rp. Chem Soc Rev. 2020 Jun 7;49(11):3525-3564. doi: 10.1039/d0cs00098a. Epub 2020 May 1. Chem Soc Rev. 2020. PMID: 32356548 Free PMC article. Review.

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Correction: QSAR without borders.

Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A. Muratov EN, et al. Among authors: sheridan rp. Chem Soc Rev. 2020 Jun 8;49(11):3716. doi: 10.1039/d0cs90041a. Chem Soc Rev. 2020. PMID: 32441715

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The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity.

Sheridan RP. Sheridan RP. J Chem Inf Model. 2015 Jun 22;55(6):1098-107. doi: 10.1021/acs.jcim.5b00110. Epub 2015 Jun 4. J Chem Inf Model. 2015. PMID: 25998559

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Interpretation of QSAR Models by Coloring Atoms According to Changes in Predicted Activity: How Robust Is It?

Sheridan RP. Sheridan RP. J Chem Inf Model. 2019 Apr 22;59(4):1324-1337. doi: 10.1021/acs.jcim.8b00825. Epub 2019 Mar 4. J Chem Inf Model. 2019. PMID: 30779563

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Three useful dimensions for domain applicability in QSAR models using random forest.

Sheridan RP. Sheridan RP. J Chem Inf Model. 2012 Mar 26;52(3):814-23. doi: 10.1021/ci300004n. Epub 2012 Mar 9. J Chem Inf Model. 2012. PMID: 22385389

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Debunking the Idea that Ligand Efficiency Indices Are Superior to pIC50 as QSAR Activities.

Sheridan RP. Sheridan RP. J Chem Inf Model. 2016 Nov 28;56(11):2253-2262. doi: 10.1021/acs.jcim.6b00431. Epub 2016 Oct 28. J Chem Inf Model. 2016. PMID: 27766848

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Building Quantitative Structure-Activity Relationship Models Using Bayesian Additive Regression Trees.

Feng D, Svetnik V, Liaw A, Pratola M, Sheridan RP. Feng D, et al. Among authors: sheridan rp. J Chem Inf Model. 2019 Jun 24;59(6):2642-2655. doi: 10.1021/acs.jcim.9b00094. Epub 2019 May 6. J Chem Inf Model. 2019. PMID: 30998343

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eCounterscreening: using QSAR predictions to prioritize testing for off-target activities and setting the balance between benefit and risk.

Sheridan RP, McMasters DR, Voigt JH, Wildey MJ. Sheridan RP, et al. J Chem Inf Model. 2015 Feb 23;55(2):231-8. doi: 10.1021/ci500666m. Epub 2015 Jan 20. J Chem Inf Model. 2015. PMID: 25551659

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Demystifying Multitask Deep Neural Networks for Quantitative Structure-Activity Relationships.

Xu Y, Ma J, Liaw A, Sheridan RP, Svetnik V. Xu Y, et al. Among authors: sheridan rp. J Chem Inf Model. 2017 Oct 23;57(10):2490-2504. doi: 10.1021/acs.jcim.7b00087. Epub 2017 Oct 2. J Chem Inf Model. 2017. PMID: 28872869

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QSAR models for predicting the similarity in binding profiles for pairs of protein kinases and the variation of models between experimental data sets.

Sheridan RP, Nam K, Maiorov VN, McMasters DR, Cornell WD. Sheridan RP, et al. J Chem Inf Model. 2009 Aug;49(8):1974-85. doi: 10.1021/ci900176y. J Chem Inf Model. 2009. PMID: 19639957

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