Applications of genetic algorithms in molecular diversity.

Abstract:

:The definition of molecular diversity and the development of measures for assessing the similarity or dissimilarity of molecules are central tasks for the design of novel biologically active compounds. Combinatorial chemistry allows the coupling of mathematical optimisation methods that do not require the a priori knowledge of structure-activity relationships with the synthesis of biologically active compounds. Genetic algorithms that computationally mimic Darwinian evolution have proven to be useful in solving multidimensional problems and are now being used successfully in various areas of combinatorial chemistry. Applications have been developed that help in the selection of diverse compound libraries and in the synthesis of biologically active molecules.

journal_name

Curr Opin Chem Biol

authors

Weber L

doi

10.1016/s1367-5931(98)80013-6

subject

Has Abstract

pub_date

1998-06-01 00:00:00

pages

381-5

issue

3

eissn

1367-5931

issn

1879-0402

pii

S1367-5931(98)80013-6

journal_volume

2

pub_type

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