Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation.
Qishi DuPeng-Jun LiuPaul G. MezeyPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- drug discovery
- chemical reactions
- three dimensional
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- molecular level
- chemical reaction
- dna computing
- search algorithm
- molecular structures
- high level
- information systems
- database
- theoretical analysis
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- van der waals
- quantum mechanics
- fine grained
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