Modern estimates of conceivable organic structures exceed 10~(60). Among these structures, there are both biologically active and practically important substances, as well as compounds that currently have no applications. It is evident that synthesis and testing of all the structures from this set are impossible. In this context, virtual screening methods are being actively developed. On the basis of predictive models, this technique filters down initial databases to a manageable number of structures that can be synthesized and tested in the laboratory.
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