Molecular field topology analysis

Molecular Field Topology Analysis in Drug Design and Virtual Screening... 

The most important QSAR techniques based on a hyperstructure are - minimal topological difference, DARC/PELCO analysis, -> molecular field topology analysis. 

The method of Molecular Field Topology Analysis is one of the hyperstucture-based QSAR techniques. It was proposed as a topological analogue of the CoMFA method because it is based on topological rather than spatial cilignment of structures [Zefirov et al, 1997a Palyulin et al, 2000]. 

Palyulin, V.A., Radchenko, E.V. and Zefirov, N.S. (2000). Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds. J.Chem.Inf.Comput.Sci., 40, 659-667. 

Zefirov N.S., Palyulin, V.A. and Radchenko, E.V. (1997) Molecular field topology analysis in studies of quantitative structure-activity relationships for organic compounds. Dokl. Akad. Nauk. SSSR, 352, 23-26. 

Molecular Field Topology Analysis, Molecular Shape Analysis, quantum-similarity. Shannon Entropy Descriptors, Electronic-Topological method. Compass method. Comparative... 

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