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