3D QSAR in drug design.

By H. Kubinyi, G. Folkers, Y. Martin. 2002

372 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics

View Paper: https://www.semanticscholar.org/paper/f3c2c089d4e360645b0d749753f6337180d8b0f8

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In Computational Theory and Mathematics

1. Sean Ekins
2. Jordi Mestres
3. Bernard Testa
4. Alessio Ceroni
5. Fabrizio Costa
6. Paolo Frasconi
7. Yang Zhang

Citations in the corpus

• In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (2007, methodology): “This is the reason why many 3D-QSAR methods require the molecules that are aligned before constructing the model (Kubinyi et al ., 1998), which has in part motivated the emergence of multiple techniques and approaches for aligning molecules, either directly through the flexible superposition of…”
• Classification of small molecules by two- and three-dimensional decomposition kernels (2007, methodology): “Alternatively, 3D-QSAR (Kubinyi et al., 2002) methods have been proposed to generate the descriptors exclusively from the 3D structure of the molecule.”