3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions.
Stefan GüssregenHans MatterGerhard HesslerMarco MüllerK. Friedemann SchmidtTimothy ClarkPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- drug discovery
- virtual screening
- chemical compounds
- drug design
- van der waals
- early stage
- scientific data
- mass spectrometry
- molecular level
- data sets
- interaction networks
- computer vision
- systems biology
- interaction patterns
- high level
- chemical reactions
- discovery process
- biological systems
- data management
- dna computing
- protein protein
- information systems
- quantum inspired
- machine learning