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Cybernetic methods of drug design. I. Statement of the problem—The perceptron approach

✍ Scribed by S.A. Hiller; V.E. Golender; A.B. Rosenblit; L.A. Rastrigin; A.B. Glaz

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
591 KB
Volume
6
Category
Article
ISSN
0010-4809

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✦ Synopsis

It is revealed that the problem of drug design which is at present coped with on a semiintuitive basis may be. interpreted in terms of modem pattern recognition theory as a problem of discriminating two classes of objects: the active and the inactive chemical compounds.

In the meantime two questions are essentially important: (1) the presentation of information on the structure of a chemical compound, i.e., the elaboration of terms for adequately describing the structure and (2) the selection of a recognition algorithm. This paper deals with the perceptron approach to the resolution of the problem. The structure is, therefore, presented as a sequence of certain coded functional groups and is projected onto the perceptron retina. The error correction procedure with adaptation of S-A connections is employed for classification.

The perceptron approach limitations are examined.

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