RT Journal Article SR Electronic T1 Proteochemometrics Modeling of the Interaction of Amine G-Protein Coupled Receptors with a Diverse Set of Ligands JF Molecular Pharmacology JO Mol Pharmacol FD American Society for Pharmacology and Experimental Therapeutics SP 1465 OP 1475 DO 10.1124/mol.61.6.1465 VO 61 IS 6 A1 Maris Lapinsh A1 Peteris Prusis A1 Torbjörn Lundstedt A1 Jarl E. S. Wikberg YR 2002 UL http://molpharm.aspetjournals.org/content/61/6/1465.abstract AB We have evaluated the proteochemometrics approach in the analysis of the interactions of a diverse set or organic ligands with subtypes of serotonin, dopamine, histamine, and adrenergic receptors. As used herein, proteochemometrics exploits affinity data for series of organic amines binding to wild-type amine G protein-coupled receptors, correlating it to descriptions and cross-description derived from the primary amino acid sequences of the receptors and the computed structures of the organic compounds. We show that after appropriate data preprocessing, statistically valid models that have good external predictive ability can be created. Evaluation of the models gave important quantitative insight into the mode of interactions of the amine G protein-coupled receptors with their ligands.