Martin EJ - Search Results

1

Target-biased scoring approaches and expert systems in structure-based virtual screening.

Jansen JM, Martin EJ. Jansen JM, et al. Among authors: martin ej. Curr Opin Chem Biol. 2004 Aug;8(4):359-64. doi: 10.1016/j.cbpa.2004.06.002. Curr Opin Chem Biol. 2004. PMID: 15288244 Review.

2

Computational approaches for combinatorial library design and molecular diversity analysis.

Blaney JM, Martin EJ. Blaney JM, et al. Among authors: martin ej. Curr Opin Chem Biol. 1997 Jun;1(1):54-9. doi: 10.1016/s1367-5931(97)80108-1. Curr Opin Chem Biol. 1997. PMID: 9667844 Review.

3

AutoShim: empirically corrected scoring functions for quantitative docking with a crystal structure and IC50 training data.

Martin EJ, Sullivan DC. Martin EJ, et al. J Chem Inf Model. 2008 Apr;48(4):861-72. doi: 10.1021/ci7004548. Epub 2008 Apr 2. J Chem Inf Model. 2008. PMID: 18380449

4

Exploiting structure-activity relationships in docking.

Sullivan DC, Martin EJ. Sullivan DC, et al. Among authors: martin ej. J Chem Inf Model. 2008 Apr;48(4):817-30. doi: 10.1021/ci700439z. Epub 2008 Apr 10. J Chem Inf Model. 2008. PMID: 18399649

5

Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.

Martin E, Mukherjee P, Sullivan D, Jansen J. Martin E, et al. J Chem Inf Model. 2011 Aug 22;51(8):1942-56. doi: 10.1021/ci1005004. Epub 2011 Jul 19. J Chem Inf Model. 2011. PMID: 21667971

6

Biased Diversity for Effective Virtual Screening.

Martin EJ, Jansen JM. Martin EJ, et al. J Chem Inf Model. 2020 Sep 28;60(9):4116-4119. doi: 10.1021/acs.jcim.9b01155. Epub 2020 Feb 6. J Chem Inf Model. 2020. PMID: 32026691

7

An Artificial Intelligence Approach to Proactively Inspire Drug Discovery with Recommendations.

Rohall SL, Auch L, Gable J, Gora J, Jansen J, Lu Y, Martin E, Pancost-Heidebrecht M, Shirley B, Stiefl N, Lindvall M. Rohall SL, et al. J Med Chem. 2020 Aug 27;63(16):8824-8834. doi: 10.1021/acs.jmedchem.9b02130. Epub 2020 Mar 30. J Med Chem. 2020. PMID: 32101427

8

Measuring diversity: experimental design of combinatorial libraries for drug discovery.

Martin EJ, Blaney JM, Siani MA, Spellmeyer DC, Wong AK, Moos WH. Martin EJ, et al. J Med Chem. 1995 Apr 28;38(9):1431-6. doi: 10.1021/jm00009a003. J Med Chem. 1995. PMID: 7739001

9

Beyond mere diversity: tailoring combinatorial libraries for drug discovery.

Martin EJ, Critchlow RE. Martin EJ, et al. J Comb Chem. 1999 Jan;1(1):32-45. doi: 10.1021/cc9800024. J Comb Chem. 1999. PMID: 10746013

10

Oriented substituent pharmacophore PRopErtY space (OSPPREYS): a substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation.

Martin EJ, Hoeffel TJ. Martin EJ, et al. J Mol Graph Model. 2000 Aug-Oct;18(4-5):383-403. doi: 10.1016/s1093-3263(00)00064-4. J Mol Graph Model. 2000. PMID: 11143557

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