Chemical complexity mapping in QSAR models

by Schüürmann G, Kühne R, Ebert R-U, Thalheim T
Published 2009-06-01

Modelling dissociation constants of organic acids by local molecular parameters

by Yu Haiying, Kühne R, Ebert R-U, Schüürmann G
Published 2010-05-01

Prediction of the partition coefficient between air and body compartments from the chemical structure

by Stöckl Stefanie, Kühne R, Ebert R-U, Schüürmann G
Published 2010-05-01

A Branch-and-Bound approach for tautomer enumeration

by Thalheim Torsten, Ebert R-U, Kühne R, Schüürmann G
Published 2010-05-01

Implication of heteroatom tautomer in QSAR models

by Schüürmann G, Kühne R, Ebert R-U, Vollmer A, Thalheim T
Published 2009-06-01