DOGS: reaction-driven de novo design of bioactive compounds.
Hartenfeller M, Zettl H, Walter M, Rupp M, Reisen F, Proschak E, Weggen S, Stark H, Schneider G.
Hartenfeller M, et al.
PLoS Comput Biol. 2012;8(2):e1002380. doi: 10.1371/journal.pcbi.1002380. Epub 2012 Feb 16.
PLoS Comput Biol. 2012.
PMID: 22359493
Free PMC article.