A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors

Author:

Kiralj Rudolf,Ferreira Márcia M.C.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference57 articles.

1. N.C. Cohen, The molecular modeling perspective in drug design, in: N.C. Cohen (Ed.), Guidebook on Molecular Modeling in Drug Design, Academic Press, San Diego, 1996, pp. 1–17.

2. R.E. Hubbard, Molecular graphics and modeling: tools of the trade, in: N.C. Cohen (Ed.), Guidebook on Molecular Modeling in Drug Design, Academic Press, San Diego, 1996, pp. 19–54.

3. C.D. Selassie, T.E. Klein, Building bridges: QSAR and molecular graphics, in: H. Kubinyi (Ed.), 3D QSAR in Drug Design: Theory, Methods and Applications, Kluwer Academic Publisher, Dordrecht, The Netherlands, 2000, pp. 257–275.

4. H.P. Klung, L.E. Alexander, X-ray Diffraction Procedures for Polycrystalline and Amorphous Materials, 2nd ed., Wiley, New York, 1974.

5. R. Kiralj, M.M.C. Ferreira, QSAR of progestogens: use of a priori and computed molecular descriptors and molecular graphics, J. Chemometr., Quant. Struct.-Act. Relat., in press.

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