1. Department of Medicinal Chemistry, Royal Danish School of Pharmacy, Universitetsparken 2, DK-2100 Copenhagen, Denmark, Laboratory for Chemometrics, University of Perugia, Via Elce di Sotto 10, I-06123 Perugia, Italy, and Novo Nordisk A/S, Novo Nordisk Park, DK-2760 Måløv, Denmark