SQUIRRELnovo: <it>de novo</it> design of a PPARα agonist by bioisosteric replacement

by Schubert-Zsilavecz M, Stark H, Rau O, Schneider P, Tanrikulu Y, Zettl H, Sander K, Proschak E, Schneider G
Published 2009-06-01

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist

by Rupp Matthias, Schroeter T, Steri R, Proschak Ewgenij, Hansen K, Zettl H, Rau O, Schubert-Zsilavecz M, Müller K-R, Schneider Gisbert
Published 2010-05-01