title: Kinase-Kernel Models: Accurate Chemogenomic Method for the Entire Human Kinome.
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.
authors.affiliation: Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, CA 94608 fax: +1(510)655-9910.
authors.forename: Li
authors.initials: L
authors.lastname: Tian
authors.affiliation: Present Address: Boehringer Ingelheim Pharmaceuticals, Inc. 900 Ridgebury Rd., Ridgefield, CT 06877.
authors.forename: Prasenjit
authors.initials: P
authors.lastname: Mukherjee
authors.affiliation: Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, CA 94608 fax: +1(510)655-9910. eric.martin@novartis.com.
authors.forename: Eric
authors.initials: E
authors.lastname: Martin
keywords: Chemogenomics; Chemoinformatics; Kernel; Kinomics; Virtual screening