Tropsha A - Search Results

1

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models.

Alves VM, Golbraikh A, Capuzzi SJ, Liu K, Lam WI, Korn DR, Pozefsky D, Andrade CH, Muratov EN, Tropsha A. Alves VM, et al. Among authors: tropsha a. J Chem Inf Model. 2018 Jun 25;58(6):1214-1223. doi: 10.1021/acs.jcim.8b00124. Epub 2018 Jun 13. J Chem Inf Model. 2018. PMID: 29809005 Free PMC article.

2

Rational combinatorial library design. 2. Rational design of targeted combinatorial peptide libraries using chemical similarity probe and the inverse QSAR approaches.

Cho SJ, Zheng W, Tropsha A. Cho SJ, et al. Among authors: tropsha a. J Chem Inf Comput Sci. 1998 Mar-Apr;38(2):259-68. doi: 10.1021/ci9700945. J Chem Inf Comput Sci. 1998. PMID: 9538521

3

Rational combinatorial library design. 3. Simulated annealing guided evaluation (SAGE) of molecular diversity: a novel computational tool for universal library design and database mining.

Zheng W, Cho SJ, Waller CL, Tropsha A. Zheng W, et al. Among authors: tropsha a. J Chem Inf Comput Sci. 1999 Jul-Aug;39(4):738-46. doi: 10.1021/ci980103p. J Chem Inf Comput Sci. 1999. PMID: 10443027

4

Quantitative structure-activity relationship modeling of dopamine D(1) antagonists using comparative molecular field analysis, genetic algorithms-partial least-squares, and K nearest neighbor methods.

Hoffman B, Cho SJ, Zheng W, Wyrick S, Nichols DE, Mailman RB, Tropsha A. Hoffman B, et al. Among authors: tropsha a. J Med Chem. 1999 Aug 26;42(17):3217-26. doi: 10.1021/jm980415j. J Med Chem. 1999. PMID: 10464009

5

Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle.

Zheng W, Tropsha A. Zheng W, et al. Among authors: tropsha a. J Chem Inf Comput Sci. 2000 Jan;40(1):185-94. doi: 10.1021/ci980033m. J Chem Inf Comput Sci. 2000. PMID: 10661566

6

Novel chirality descriptors derived from molecular topology.

Golbraikh A, Bonchev D, Tropsha A. Golbraikh A, et al. Among authors: tropsha a. J Chem Inf Comput Sci. 2001 Jan-Feb;41(1):147-58. doi: 10.1021/ci000082a. J Chem Inf Comput Sci. 2001. PMID: 11206367

7

Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining.

Tropsha A, Zheng W. Tropsha A, et al. Curr Pharm Des. 2001 May;7(7):599-612. doi: 10.2174/1381612013397834. Curr Pharm Des. 2001. PMID: 11375770 Review.

8

Beware of q2!

Golbraikh A, Tropsha A. Golbraikh A, et al. Among authors: tropsha a. J Mol Graph Model. 2002 Jan;20(4):269-76. doi: 10.1016/s1093-3263(01)00123-1. J Mol Graph Model. 2002. PMID: 11858635

9

Antitumor agents. 213. Modeling of epipodophyllotoxin derivatives using variable selection k nearest neighbor QSAR method.

Xiao Z, Xiao YD, Feng J, Golbraikh A, Tropsha A, Lee KH. Xiao Z, et al. Among authors: tropsha a. J Med Chem. 2002 May 23;45(11):2294-309. doi: 10.1021/jm0105427. J Med Chem. 2002. PMID: 12014968

10

Quantitative structure-activity relationship analysis of functionalized amino acid anticonvulsant agents using k nearest neighbor and simulated annealing PLS methods.

Shen M, LeTiran A, Xiao Y, Golbraikh A, Kohn H, Tropsha A. Shen M, et al. Among authors: tropsha a. J Med Chem. 2002 Jun 20;45(13):2811-23. doi: 10.1021/jm010488u. J Med Chem. 2002. PMID: 12061883

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