Rethinking 3D-QSAR

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 3, 2011, Pages 197-201

  Cramer, Richard D ^a  

^a TRIPOS INC   (United States)

Author keywords

3D QSAR; CoMFA; Prediction; Topomer

Indexed keywords

3D-QSAR; AVERAGE ERRORS; COMFA; TEST APPLICATIONS; TOPOMER;

COMPUTATIONAL CHEMISTRY;

ACCURACY; ANALYTICAL ERROR; COMPARATIVE MOLECULAR FIELD ANALYSIS; IC 50; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; REVIEW; STRUCTURE ANALYSIS;

EID: 79955996710     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9403-z     Document Type: Review

References (17)

1. Golbraikh A, Tropsha A (2002) J Mol Graphics Model 20:269-276
2. Doweyko A (2004) J Comp Aided Mol Des 18:587-596
3. Maggiora GM (2006) J Chem Inf Model 46:1535
4. Johnson SR (2006) J Chem Inf Model 48:25-26
5. Doweyko A (2008) Idrugs 11:894-899
6. Dearden JC, Cronin MTD, Kaiser KLE (2009) SAR QSAR Environ Res 20:241-266
7. Scior T, Medina-Franco JL, Do Q-T, Martinez-Mayorga K, Yunes-Rojas JA, Bernard P (2009) Curr Med Chem 16:4297-4313
8. Czerminski R, Manchester J (2008) J Chem Inf Model 48:1167-1173
9. Wendt B, Boes F, Uhrig U (2010) J Cheminform 2(Suppl 1):P4
10. Tresadern G, Bernporad D (2010) Future Med Chem 2:1547-1561
11. Guessregen S, private communication
12. Cramer RD (2003) J Med Chem 46:374-389
13. Jilek RJ, Cramer RD (2004) J Chem Inf Comp Sci 44:1221-1227
14. Clark M, Cramer RD (1993) Quant Struct-Act Relat 12:137-145
15. Cramer RD, Cruz P, Stahl G, Curtiss WC, Campbell B, Masek BB, Soltanshahi F (2008) J Chem Inf Model 48:2180-2195
16. Clark RD (2007) J Comp Aided Mol Des 22:507-521
17. Brown RD, Martin YC (1999) J Chem Inf Comput Sci 36:573-584