A Branch-and-Bound approach for tautomer enumeration
Main Authors: | Thalheim Torsten, Ebert R-U, Kühne R, Schüürmann G |
---|---|
Format: | Article |
Language: | English |
Published: |
BMC
2010-05-01
|
Series: | Journal of Cheminformatics |
Similar Items
-
Implication of heteroatom tautomer in QSAR models
by: Schüürmann G, et al.
Published: (2009-06-01) -
Chemical complexity mapping in QSAR models
by: Schüürmann G, et al.
Published: (2009-06-01) -
Ligand-side tautomer enumeration and scoring for structure-based drug-design
by: Seidel Thomas, et al.
Published: (2010-05-01) -
Modelling dissociation constants of organic acids by local molecular parameters
by: Yu Haiying, et al.
Published: (2010-05-01) -
Prediction of the partition coefficient between air and body compartments from the chemical structure
by: Stöckl Stefanie, et al.
Published: (2010-05-01)