title: Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
authors.affiliation: Institute of Bioinformatics and Systems Biology, Helmholtz Zentrum Muenchen-German Research Center for Environmental Health (GmbH), Ingolstaedter Landstrasse 1, D-85764 Neuherberg, Germany.
authors.forename: Iurii
authors.initials: I
authors.lastname: Sushko
authors.forename: Sergii
authors.initials: S
authors.lastname: Novotarskyi
authors.forename: Robert
authors.initials: R
authors.lastname: Körner
authors.forename: Anil Kumar
authors.initials: AK
authors.lastname: Pandey
authors.forename: Artem
authors.initials: A
authors.lastname: Cherkasov
authors.forename: Jiazhong
authors.initials: J
authors.lastname: Li
authors.forename: Paola
authors.initials: P
authors.lastname: Gramatica
authors.forename: Katja
authors.initials: K
authors.lastname: Hansen
authors.forename: Timon
authors.initials: T
authors.lastname: Schroeter
authors.forename: Klaus-Robert
authors.initials: KR
authors.lastname: Müller
authors.forename: Lili
authors.initials: L
authors.lastname: Xi
authors.forename: Huanxiang
authors.initials: H
authors.lastname: Liu
authors.forename: Xiaojun
authors.initials: X
authors.lastname: Yao
authors.forename: Tomas
authors.initials: T
authors.lastname: Öberg
authors.forename: Farhad
authors.initials: F
authors.lastname: Hormozdiari
authors.forename: Phuong
authors.initials: P
authors.lastname: Dao
authors.forename: Cenk
authors.initials: C
authors.lastname: Sahinalp
authors.forename: Roberto
authors.initials: R
authors.lastname: Todeschini
authors.forename: Pavel
authors.initials: P
authors.lastname: Polishchuk
authors.forename: Anatoliy
authors.initials: A
authors.lastname: Artemenko
authors.forename: Victor
authors.initials: V
authors.lastname: Kuz'min
authors.forename: Todd M
authors.initials: TM
authors.lastname: Martin
authors.forename: Douglas M
authors.initials: DM
authors.lastname: Young
authors.forename: Denis
authors.initials: D
authors.lastname: Fourches
authors.forename: Eugene
authors.initials: E
authors.lastname: Muratov
authors.forename: Alexander
authors.initials: A
authors.lastname: Tropsha
authors.forename: Igor
authors.initials: I
authors.lastname: Baskin
authors.forename: Dragos
authors.initials: D
authors.lastname: Horvath
authors.forename: Gilles
authors.initials: G
authors.lastname: Marcou
authors.forename: Christophe
authors.initials: C
authors.lastname: Muller
authors.forename: Alexander
authors.initials: A
authors.lastname: Varnek
authors.forename: Volodymyr V
authors.initials: VV
authors.lastname: Prokopenko
authors.forename: Igor V
authors.initials: IV
authors.lastname: Tetko
mesh_terms: D019985:Benchmarking / Q000379:methods*; D002965:Classification / Q000379:methods*; D009152:Mutagenicity Tests / Q000379:methods* / Q000592:standards; D025341:Principal Component Analysis; D021281:Quantitative Structure-Activity Relationship