title: Extending 'predict first' to the design-make-test cycle in small-molecule drug discovery.
authors.affiliation: Merck & Co., Inc., MRL, West Point, PA, USA.
authors.forename: Scott
authors.initials: S
authors.lastname: Harrison
authors.affiliation: Merck & Co., Inc., MRL, Boston, MA, USA.
authors.forename: Brian
authors.initials: B
authors.lastname: Lahue
authors.affiliation: Merck & Co., Inc., MRL, Rahway, NJ, USA.
authors.forename: Zhengwei
authors.initials: Z
authors.lastname: Peng
authors.affiliation: Merck & Co., Inc., MRL, Boston, MA, USA.
authors.forename: Anthony
authors.initials: A
authors.lastname: Donofrio
authors.affiliation: Merck & Co., Inc., MRL, Boston, MA, USA.
authors.forename: Charlie
authors.initials: C
authors.lastname: Chang
authors.affiliation: Merck & Co., Inc., MRL, Boston, MA, USA.
authors.forename: Meir
authors.initials: M
authors.lastname: Glick
mesh_terms: D057225:Data Mining; D015195:Drug Design; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D009930:Organic Chemicals / Q000138:chemical synthesis* / Q000302:isolation & purification*; D021281:Quantitative Structure-Activity Relationship; D054852:Small Molecule Libraries / Q000138:chemical synthesis*
chemical_list: D009930:Organic Chemicals; D054852:Small Molecule Libraries
keywords: combinatorial and high-throughput synthesis; computational chemistry and molecular modeling; pharma Industry