[The rational computer-aided design of new drugs: a review of the methods].

@article{Ivanov1995TheRC,
  title={[The rational computer-aided design of new drugs: a review of the methods].},
  author={Alexis S. Ivanov and Iu A Liul'kin and Vladlen S. Skvortsov and Andrej Rumiantsev},
  journal={Vestnik Rossiiskoi akademii meditsinskikh nauk},
  year={1995},
  volume={12},
  pages={
          51-6
        }
}
Progress in computer science over recent 10 years has sharply reduced both the cost and the time spent on designing new drugs. Various concepts in solving this problem are now integrated into one approach--computer-assisted rational drug design. It consists of two groups of methods: 1) computer-assisted analysis of chemical structure-biological activity relationships by QSAR, OSMR, 3D QSAR and CoMFA; 2) computer modelling of the interaction of a ligand (a small drug molecule) with its target--a… CONTINUE READING

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