Cargando…
Diagnostic of tautomer behaviour on QSAR models and AM1 optimisation
Autores principales: | Thalheim, T, Wondrousch, D, Stöckl, S, Mulliner, D, Ebert, R-U, Kühne, R, Schüürmann, G |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3083579/ http://dx.doi.org/10.1186/1758-2946-3-S1-P24 |
Ejemplares similares
-
A Branch-and-Bound approach for tautomer enumeration
por: Thalheim, Torsten, et al.
Publicado: (2010) -
Prediction of the partition coefficient between air and body compartments from the chemical structure
por: Stöckl, Stefanie, et al.
Publicado: (2010) -
Modelling dissociation constants of organic acids by local molecular parameters
por: Yu, Haiying, et al.
Publicado: (2010) -
Ligand-side tautomer enumeration and scoring for structure-based drug-design
por: Seidel, Thomas, et al.
Publicado: (2010) -
Automating QSAR expertise
por: Leahy, DE, et al.
Publicado: (2008)