Solvent effects by means of averaged solvent electrostatic potentials: Coupled method.
M. Luz SánchezM. Elena MartínManuel Angel Aguilar EspinosaFrancisco Javier Olivares del VallePublished in: J. Comput. Chem. (2000)
Keyphrases
- detection method
- high accuracy
- dynamic programming
- experimental evaluation
- computational cost
- similarity measure
- theoretical analysis
- main contribution
- synthetic data
- evaluation method
- artificial neural networks
- high precision
- energy function
- cost function
- neural network
- computationally efficient
- high order
- classification method
- probabilistic model
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- significant improvement
- prior knowledge
- k means
- pairwise
- decision trees