University of Dundee

Exscientia Ltd.

Jérémy Besnard

Andrew Lee Hopkins

A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (O), where n is at least one; defining a population (P) of at least one molecule; selecting an initial population (P) of at least one molecule (I-I) from the population (P); and evaluating members (I-I) of the initial population (P) against at least one of the n achievement objectives (O), where x is from 1 to n.

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Dundee, United Kingdom

Jérémy Besnard