1. Laboratory for Molecular Modeling, Division of Medicinal Chemistry and Natural Products, and Carolina Exploratory Center for Cheminformatics Research, School of Pharmacy, CB 7360, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, Laboratories of Chemoinformatics, Institute of Chemistry, Louis Pasteur University, Strasbourg, France, QSAR Research Unit in Environmental Chemistry and Ecotoxicology, Department of Structural and Functional Biology, University of Insubria, Varese, Italy,...