Molecules

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United States of America Patent

PATENT NO 10381110
APP PUB NO 20160196412A1
SERIAL NO

14986516

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ATTORNEY / AGENT: (SPONSORED)

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Abstract

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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 (OA1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA1-x), where x is from 1 to n.

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Patent Owner(s)

  • THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Besnard, Jérémy Dundee, GB 10 3
Hopkins, Andrew Lee City Quay, GB 10 21

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