A Newly Proposed Molecular Topological Index for the Discrimination of Cis/trans Isomers and for the Studies of QSAR/QSPR.
Lu XuHua-Yun WangQiang SuPublished in: Comput. Chem. (1992)
Keyphrases
- drug discovery
- drug design
- virtual screening
- database
- three dimensional
- chemical compounds
- empirical studies
- scientific data
- molecular structures
- neural network
- topological properties
- early stage
- index structure
- systems biology
- indexing techniques
- knowledge discovery
- face recognition
- database systems
- case study
- data mining
- data sets