Prediction of standard Gibbs energies of the transfer of peptide anions from aqueous solution to nitrobenzene based on support vector machine and the heuristic method. [electronic resource]
- Journal of computer-aided molecular design Jan 2006
- 1-11 p. digital
Publication Type: Comparative Study; Journal Article; Research Support, Non-U.S. Gov't
0920-654X
10.1007/s10822-005-9031-1 doi
Anions--chemistry Models, Chemical Nitrobenzenes--chemistry Peptides--chemistry Solvents--chemistry Structure-Activity Relationship Thermodynamics Water--chemistry