DOGS: Reaction-Driven de novo Design of Bioactive Compounds. - Hartenfeller, Markus; Zettl, Heiko; Walter, Miriam; Rupp, Matthias; Reisen, Felix; Proschak, Ewgenij; Weggen, Sascha; Stark, Holger; Schneider, Gisbert (PLoS Computational Biology, 2012)