Reynolds RC - Search Results

1

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. Lane T, et al. Among authors: reynolds rc. Mol Pharm. 2018 Oct 1;15(10):4346-4360. doi: 10.1021/acs.molpharmaceut.8b00083. Epub 2018 Apr 26. Mol Pharm. 2018. PMID: 29672063 Free PMC article.

2

Fusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation.

Ekins S, Freundlich JS, Reynolds RC. Ekins S, et al. Among authors: reynolds rc. J Chem Inf Model. 2013 Nov 25;53(11):3054-63. doi: 10.1021/ci400480s. Epub 2013 Oct 30. J Chem Inf Model. 2013. PMID: 24144044 Free PMC article.

3

Are bigger data sets better for machine learning? Fusing single-point and dual-event dose response data for Mycobacterium tuberculosis.

Ekins S, Freundlich JS, Reynolds RC. Ekins S, et al. Among authors: reynolds rc. J Chem Inf Model. 2014 Jul 28;54(7):2157-65. doi: 10.1021/ci500264r. Epub 2014 Jul 17. J Chem Inf Model. 2014. PMID: 24968215 Free PMC article.

4

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets.

Clark AM, Dole K, Coulon-Spektor A, McNutt A, Grass G, Freundlich JS, Reynolds RC, Ekins S. Clark AM, et al. Among authors: reynolds rc. J Chem Inf Model. 2015 Jun 22;55(6):1231-45. doi: 10.1021/acs.jcim.5b00143. Epub 2015 Jun 3. J Chem Inf Model. 2015. PMID: 25994950 Free PMC article.

5

Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015).

Ekins S, Perryman AL, Clark AM, Reynolds RC, Freundlich JS. Ekins S, et al. Among authors: reynolds rc. J Chem Inf Model. 2016 Jul 25;56(7):1332-43. doi: 10.1021/acs.jcim.6b00004. Epub 2016 Jul 1. J Chem Inf Model. 2016. PMID: 27335215 Free PMC article.

6

Correction to "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. Lane T, et al. Among authors: reynolds rc. Mol Pharm. 2021 Jul 5;18(7):2833. doi: 10.1021/acs.molpharmaceut.1c00428. Epub 2021 Jun 17. Mol Pharm. 2021. PMID: 34137624 No abstract available.

7

Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery.

Ekins S, Reynolds RC, Kim H, Koo MS, Ekonomidis M, Talaue M, Paget SD, Woolhiser LK, Lenaerts AJ, Bunin BA, Connell N, Freundlich JS. Ekins S, et al. Among authors: reynolds rc. Chem Biol. 2013 Mar 21;20(3):370-8. doi: 10.1016/j.chembiol.2013.01.011. Chem Biol. 2013. PMID: 23521795 Free PMC article.

8

Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models.

Ekins S, Reynolds RC, Franzblau SG, Wan B, Freundlich JS, Bunin BA. Ekins S, et al. Among authors: reynolds rc. PLoS One. 2013 May 7;8(5):e63240. doi: 10.1371/journal.pone.0063240. Print 2013. PLoS One. 2013. PMID: 23667592 Free PMC article.

9

Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery.

Ekins S, Freundlich JS, Hobrath JV, Lucile White E, Reynolds RC. Ekins S, et al. Among authors: reynolds rc. Pharm Res. 2014 Feb;31(2):414-35. doi: 10.1007/s11095-013-1172-7. Epub 2013 Oct 17. Pharm Res. 2014. PMID: 24132686 Free PMC article.

10

Looking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosis.

Ekins S, Pottorf R, Reynolds RC, Williams AJ, Clark AM, Freundlich JS. Ekins S, et al. Among authors: reynolds rc. J Chem Inf Model. 2014 Apr 28;54(4):1070-82. doi: 10.1021/ci500077v. Epub 2014 Apr 3. J Chem Inf Model. 2014. PMID: 24665947 Free PMC article.

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