A stereochemically accurate chemical substance database based on the systematic names of organic compounds. 1. Low molecular weight organic compounds.
Keisuke ArakiMasanori KajiPublished in: J. Chem. Inf. Comput. Sci. (1991)
Keyphrases
- drug discovery
- database
- chemical structures
- virtual screening
- chemical compounds
- molecular structure
- database systems
- early stage
- databases
- scientific data
- data sets
- neural network
- high quality
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- relational databases
- discovery process
- light emitting diodes
- experimental data
- knowledge discovery
- data model
- database applications
- biological systems
- weighting scheme
- data mining tools
- computationally efficient
- high accuracy
- query language
- three dimensional
- data mining