Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist. - Matthias Rupp; Timon Schroeter; Ramona Steri; Ewgenij Proschak; Katja Hansen; Heiko Zettl; Oliver Rau; Manfred Schubert-Zsilavecz; Klaus-Robert Müller; Gisbert Schneider (J. Cheminformatics, 2010)