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Kinase-Kernel Models: Accurate Chemogenomic Method for the Entire Human Kinome

Authors

  • Li Tian,

    1. Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, CA 94608 fax: +1(510)655-9910
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  • Prasenjit Mukherjee,

    1. Present Address: Boehringer Ingelheim Pharmaceuticals, Inc. 900 Ridgebury Rd., Ridgefield, CT 06877
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  • Eric Martin

    Corresponding author
    1. Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, CA 94608 fax: +1(510)655-9910
    • Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, CA 94608 fax: +1(510)655-9910

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Abstract

Chemogenomic kinase-kernel virtual screening models interpolate between very accurate, empirically-trained Profile-QSAR models of the nearest binding-site homologues with IC50 assay data. Between them, activity has been predicted for the entire human kinome.

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