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Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM‐MST solvation models in 3D‐QSAR |
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| Authors: | Tiziana Ginex Jordi Muñoz‐Muriedas Enric Herrero Enric Gibert Pietro Cozzini F. J. Luque |
| Affiliation: | 1. Dipartimento Di Scienze Degli Alimenti, University of Parma, Parma, Italy;2. GlaxoSmithKline, Medicines Research Centre, Stevenage, United Kingdom;3. Pharmacelera, Jordi Girona 1‐3, Campus Nord Universitat Politècnica De Catalunya, Barcelona, Spain;4. Department of Chemical Physics and Institut De Biomedicina (IBUB), Faculty of Pharmacy, University of Barcelona, Santa Coloma De Gramenet, Spain |
| Abstract: | |
| Keywords: | hydrophobic molecular field continuum solvation model quantum mechanics 3D‐QSAR |