QSAR - Tudor Oprea is the Recipient of the 2002 Hansch Award

I am pleased to announce that Prof. Tudor Oprea (Office of Biocomputing,
School of Medicine, University of New Mexico) has been recognized with the
Hansch Award of the QSAR and Modelling Society. This award is given to
recognize young scientists that have contributed to advancing QSAR and
that the committee believes will continue to so contribute. Tudor
certainly matches the qualifications.

Tudor is an energetic practitioner of QSAR and its ancillary subjects. He
has made valuable and creative contributions to a number of areas of
interest to Society members: MTD & MTD/PLS; 3D QSAR, both applications and
improvements to the methodology; Validate, a new scoring function for
structure-based design; chemography?navigating in chemical space including
consideration of ADME properties; and applications to combinatorial
chemistry including investigations of the differences between lead-like
and drug-like molecules. For your interest I have listed publications
captured by Current Contents since 1996.

Please join me in congratulating Prof. Oprea on this recognition of his
work--and watch for even more interesting contributions from his new
position in New Mexico.

Yvonne Martin
Chair, QSAR and Modelling Society

1. Oprea, T.L., Virtual screening in lead discovery: A viewpoint. Molecules, 2002. 7(1): p. 51-62.
2. Oprea, T.I., Chemical space navigation in lead discovery. Current Opinion in Chemical Biology, 2002. 6(3): p. 384-389.
3. Oprea, T.I., I. Zamora, and A.L. Ungell, Pharmacokinetically based mapping device for chemical space navigation. Journal of Combinatorial Chemistry, 2002. 4(4): p. 258-266.
4. Kurunczi, L., et al., MTD-PLS: A PLS-based variant of the MTD method. 2. Mapping ligand-receptor
interactions. Enzymatic acetic acid esters hydrolysis. Journal of Chemical Information & Computer Sciences, 2002. 42(4): p. 841-846.
5. Oprea, T.I. and J. Gottfries, Chemography: The art of navigating in chemical space. Journal of Combinatorial Chemistry, 2001. 3(2): p. 157-166.
6. Oprea, T.I., Rapid estimation of hydrophobicity for virtual combinatorial library
analysis. Sar & QSAR in Environmental Research, 2001. 12(1-2): p. 129-141.
7. Oprea, T.I., et al., MTD-PLS: A PLS-based variant of the MTD method. A 3D-QSAR analysis of
receptor affinities for a series of halogenated dibenzoxin and biphenyl
derivatives. Sar & QSAR in Environmental Research, 2001. 12(1-2): p. 75-92.
8. Oprea, T.I., et al., Is there a difference between leads and drugs? A historical perspective. Journal of Chemical Information & Computer Sciences, 2001. 41(5): p. 1308-1315.
9. Nilsson, J.W., et al., Solid-phase synthesis of libraries generated from a
4-phenyl-2-carboxy-piperazine scaffold. Journal of Combinatorial Chemistry, 2001. 3(6): p. 546-553.
10. Oprea, T.I., Property distribution of drug-related chemical databases. Journal of Computer-Aided Molecular Design, 2000. 14(3): p. 251-264.
11. Mracec, M. and T.I. Oprea, Correlation between experimental electron affinities for aromatic
derivatives and the values calculated with semiempirical MO methods. Revue Roumaine de Chimie, 2000. 45(10): p. 949-954.
12. Teague, S.J., et al., The design of leadlike combinatorial libraries. Angewandte Chemie-International Edition, 1999. 38(24): p. 3743-3748.
13. Sulea, T., et al., MTD-adj - a multiconformational minimal topologic difference for
determining bioactive conformers using adjusted biological activities. Journal of Computer-Aided Molecular Design, 1998. 12(2): p. 133-146.
14. Oprea, T.I. and G.R. Marshall, Receptor-based prediction of binding affinities. Perspectives in Drug Discovery & Design, 1998. 11: p. 35-61.
15. Sulea, T., et al., A different method for steric field evaluation in comfa improves model
robustness. Journal of Chemical Information & Computer Sciences, 1997. 37(6): p. 1162-1170.
16. Oprea, T.I., L. Kurunczi, and S. Timofei, QSAR studies of disperse azo dyes - towards the negation of the
pharmacophore theory of dye-fiber interaction. Dyes & Pigments, 1997. 33(1): p. 41-64.
17. Oprea, T.I., G. Hummer, and A.E. Garcia, Identification of a functional water channel in cytochrome p450 enzymes. Proceedings of the National Academy of Sciences of the United States of
America, 1997. 94(6): p. 2133-2138.
18. Waller, C.L., et al., Ligand-based identification of environmental estrogens. Chemical Research in Toxicology, 1996. 9(8): p. 1240-1248.
19. Oprea, T.I. and A.E. Garcia, Three-dimensional quantitative structure-activity relationships of steroid
aromatase inhibitors. Journal of Computer-Aided Molecular Design, 1996. 10(3): p. 186-200.
20. Head, R.D., et al., Validate - a new method for the receptor-based prediction of binding
affinities of novel ligands. Journal of the American Chemical Society, 1996. 118(16): p. 3959-3969.
Received on 2002-11-25 - 19:37 GMT