Товарищи, помогите, плиз, вот ещё с этими:
1. Galvez, J., Garcia, R., Salabert, M.T. & Soler, R. Charge Indexes. New Topological Descriptors // J.Chem.Inf.Comp.Sci., 1994, Vol. 34, 520-525.
2. Galvez, J., Garcia-Domenech, R., De Julian-Ortiz, V. & Soler, R. Topological Approach to Drug Design // J.Chem.Inf.Comput.Sci., 1995, Vol. 35, 272-284.
3. Galvez, J., Garcia-Domenech, R., de Gregorio Alapont, C., De Julian-Ortiz, V. & Popa, L. Pharmacological distribution diagrams: A tool for de novo drug design // J.Mol.Graphics, 1996, Vol. 14, 272-276.
Код: Выделить всё
http://dx.doi.org/10.1016/S0263-7855(96)00081-1
4. Hemmer, M.C., Steinhauer, V. & Gasteiger, J. Deriving the 3D structure of organic molecules from their infrared spectra // Vibrat.Spect.,1999, 19, 151-164.
Код: Выделить всё
http://dx.doi.org/10.1016/S0924-2031(99)00014-4
5. Consonni, V.,Todeschini, R. & Pavan, M. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors // J.Chem.Inf.Comp.Sci., 2002, 42, 682-692.
6. Consonni, V.,Todeschini, R. & Pavan, M. Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies // J.Chem.Inf.Comp.Sci., 2002, 42, 693-705.
Пребольшое спасибо!
