Article : texte imprimé

Estimating octanol – water partition coefficients for selected nanoscale building blocks using the COSMO - SAC segment contribution method

Patrick S. Redmill, Auteur |

Dans Industrial & engineering chemistry research (Vol. 51 N° 12, Mars 2012)

The use of the conductor-like screening with segment activity coefficient (COSMO-SAC) model to predict octanol–water partition coefficients (log KO/W) for selected nanoscale building blocks (NBBs) has been evaluated. COSMO calculations have been[...]

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