title: The use of the R language for medicinal chemistry applications.
abstract: This manuscript serves as a review of how the R language has been used in the last decade to address problems related to medicinal chemistry design. This includes the use of the R language for chemoinformatics applications and interfaces, as well as statistical modeling for ADMET and potency endpoints. Additionally, a few examples of R code are provided to demonstrate the ability of this language to make available cutting-edge statistical analysis to the medicinal chemistry design community.
authors.affiliation: Neuroscience Chemistry, Pfizer Worldwide Research and Development, 700 Main Street, Cambridge, MA 02139, USA. scot.mente@pfizer.com
authors.forename: Scot
authors.initials: S
authors.lastname: Mente
authors.forename: Max
authors.initials: M
authors.lastname: Kuhn
mesh_terms: D000042:Absorption; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D062126:Databases, Chemical; D015233:Models, Statistical; D011381:Programming Languages; D012984:Software; D018675:Toxicity Tests