Approximate molecular electrostatic potential computations: applications to quantitative structure-activity relationships

@inproceedings{Kireev1994ApproximateME,
  title={Approximate molecular electrostatic potential computations: applications to quantitative structure-activity relationships},
  author={Dmitri Borissovitch Kireev and Valery I. Fetisov and Nikolai S. Zefirov},
  year={1994}
}
Abstract Two new methods for calculating molecular electrostatic potentials are considered, taking into account QSAR requirements. The first of these is based on quantum chemical approximations; the other uses the topology of molecules. A program for displaying potential contour maps generated by various methods is presented. Examples of the successful use of these methods are given. 

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