Design of molecules

Andrew Hopkins (Inventor), Jeremy Besnard (Inventor)

    Research output: Patent

    Abstract

    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.
    Original languageEnglish
    Patent numberPCT/GB2010/051940
    IPCG06F 19/00
    Publication statusPublished - 26 May 2011

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    Molecules
    Drug Design
    Evolutionary Algorithms
    Design

    Cite this

    Hopkins, A., & Besnard, J. (2011). IPC No. G06F 19/00. Design of molecules. (Patent No. PCT/GB2010/051940).
    Hopkins, Andrew (Inventor) ; Besnard, Jeremy (Inventor). / Design of molecules. IPC No.: G06F 19/00. Patent No.: PCT/GB2010/051940.
    @misc{7ab1f1c4c5264e9e8a5b6b031c25c67d,
    title = "Design of molecules",
    abstract = "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.",
    author = "Andrew Hopkins and Jeremy Besnard",
    note = "Pub. No. WO/2011061548; PCT/GB2010/051940; G06F 19/00",
    year = "2011",
    month = "5",
    day = "26",
    language = "English",
    type = "Patent",

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    Hopkins, A & Besnard, J 2011, Design of molecules, Patent No. PCT/GB2010/051940, IPC No. G06F 19/00.

    Design of molecules. / Hopkins, Andrew (Inventor); Besnard, Jeremy (Inventor).

    IPC No.: G06F 19/00. Patent No.: PCT/GB2010/051940.

    Research output: Patent

    TY - PAT

    T1 - Design of molecules

    AU - Hopkins, Andrew

    AU - Besnard, Jeremy

    N1 - Pub. No. WO/2011061548

    PY - 2011/5/26

    Y1 - 2011/5/26

    N2 - 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.

    AB - 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.

    M3 - Patent

    M1 - PCT/GB2010/051940

    ER -

    Hopkins A, Besnard J, inventors. Design of molecules. G06F 19/00. 2011 May 26.