Molecular field topology analysis method in QSAR studies of organic compounds

A new method of QSAR analysis for organic compounds, molecular field topolo gy analysis (MFTA), is considered that involves the topological superpositi on of the training set structures and the construction of a molecular super graph (MSG). This enables the creation of the uniform descriptor vectors ba sed on the local physicochemical parameters (atom and bond properties) of t he molecules. The application of this technique is illustrated by a number of examples, and its features are discussed. The MFTA is especially suitabl e for solving the problems where the analysis of three-dimensional structur e is either unnecessary or complicated.