Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds

Journal of Chemical Information and Computer Sciences

Volumn 40, Issue 3, 2000, Pages 659-667

  Palyulin, Vladimir A ^a   Radchenko, Eugene V ^a   Zefirov, Nikolai S ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001358063     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980114i     Document Type: Article

References (35)

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29. Additional information on the program and its applications is available from the authors (vap@org.cnem.msu.su).
30. The test and training set structures were corrected in accordance with the original publications: Dunn, J. F.; Nisula, B. C.; Rodbard, D. Transport of Steroid Hormones: Binding of 21 Endogenous Steroids to both Testosterone-Binding Globulin and Corticosteroid-Binding Globulin in Human Plasma. J. Clin. Endocrin. Metab. 1981, 53, 58-68. Mickelson, K. E.; Forsthoefel, J.; Westphal, U. Steroid-Protein Interactions. Human Corticosteroid Binding Globulin: Some Physicochemical Properties and Binding Specificity. Biochemistry 1981, 20, 6211-6218 .
31. The test and training set structures were corrected in accordance with the original publications: Dunn, J. F.; Nisula, B. C.; Rodbard, D. Transport of Steroid Hormones: Binding of 21 Endogenous Steroids to both Testosterone-Binding Globulin and Corticosteroid-Binding Globulin in Human Plasma. J. Clin. Endocrin. Metab. 1981, 53, 58- 68. Mickelson, K. E.; Forsthoefel, J.; Westphal, U. Steroid-Protein Interactions. Human Corticosteroid Binding Globulin: Some Physicochemical Properties and Binding Specificity. Biochemistry 1981, 20, 6211-6218 .
32. Pajeva, I. K.; Wiese, M. QSAR and Molecular Modelling of Catamphiphilic Drugs Able to Modulate Multidrug Resistance in Tumors. Quant. Struct.-Act. Relat. 1997, 16, 1-10.
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34. Tratch, S. S.; Lomova, O. A.; Sukhachev, D. V.; Palyulin, V. A.; Zefirov, N. S. Generation of Molecular Graphs for QSAR Studies: an Approach Based on Acyclic Fragment Combinations. J. Chem. Inf. Comput. Sci. 1992, 32, 130-139.
35. Zefirov, N. S.; Petelin, D. E.; Palyulin, V. A.; McFarland, J. W. Quantitative Relationship between the Structure of 2-Substituted 1,2,4-Triazine-3,5(2H,4H)-diones and their Anticoccidial Activity. Dokl. Akad. Nauk 1992, 327, 504-508 (Russian).