title: Predicting lipophilicity of drug-discovery molecules using Gaussian process models.
authors.affiliation: Intelligent Data Analysis Group, Fraunhofer FIRST, Kekulestrasse 7, 12489 Berlin, Germany. timon.schroeter@first.fraunhofer.de
authors.forename: Timon S
authors.initials: TS
authors.lastname: Schroeter
authors.forename: Anton
authors.initials: A
authors.lastname: Schwaighofer
authors.forename: Sebastian
authors.initials: S
authors.lastname: Mika
authors.forename: Antonius
authors.initials: A
authors.lastname: Ter Laak
authors.forename: Detlev
authors.initials: D
authors.lastname: Suelzle
authors.forename: Ursula
authors.initials: U
authors.lastname: Ganzer
authors.forename: Nikolaus
authors.initials: N
authors.lastname: Heinrich
authors.forename: Klaus-Robert
authors.initials: KR
authors.lastname: Müller
mesh_terms: D015195:Drug Design; D008962:Models, Theoretical