title: Mapping Chemical Structures to Markush Structures Using SMIRKS.
authors.affiliation: Roche, Pharma Research & Early Development Informatics, 340 Kingsland St., Nutley, NJ, 07110, USA.
authors.forename: Wei
authors.initials: W
authors.lastname: Deng
authors.affiliation: Swiss Federal Institute of Technology (ETH), Institute of Pharmaceutical Sciences, Wolfgang-Pauli-Str. 10, 8093 Zürich, Switzerland.
authors.forename: Gisbert
authors.initials: G
authors.lastname: Schneider
authors.affiliation: Roche, Pharma Research & Early Development Informatics, 340 Kingsland St., Nutley, NJ, 07110, USA. venus.so@roche.com.
authors.forename: W Venus
authors.initials: WV
authors.lastname: So
keywords: Combinatorial chemistry; Markush structure; Nested R-group; Patent search; SMILES; SMIRKS