𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices

✍ Scribed by Tetko, I.V.; Tanchuk, V.Yu.; Kasheva, T.N.; Villa, A.E.P.

Book ID
121194829
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
53 KB
Volume
41
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Estimation of the aqueous solubility of
Estimation of the aqueous solubility of organic compounds using molecular connectivity indices
✍ Chongli Zhong; Qinghua Hu πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 102 KB

A correlation for estimation of the aqueous solubility of organic compounds that is based on a training set of 120 chemicals is proposed. The new model proposed is predictive and requires only molecular connectivity indices in the calculations. The calculated results of the new model are comparable

Estimation of water solubility from atom
Estimation of water solubility from atom-type electrotopological state indices
✍ Jarmo Huuskonen πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 83 KB

## Abstract Based on the atom‐typee ectrotopological state (E‐state) indices, a quantitative structure–property relationship model for the prediction of aqueous solubility for a diverse set of 745 organic compounds is presented. The multiple linear regression analysis was used to build the models.

Estimation of solubility parameter using
Estimation of solubility parameter using equations of state
✍ Elaheh K. Goharshadi; Maryam Hesabi πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 119 KB

Starting from the definition of cohesive energy density and the solubility parameter, the latter can be estimated using equations of state. We have used the linear isotherm regularity (LIR), Ihm-Song-Mason (ISM), and Peng-Robinson (PR) equations of state to predict the solubility parameter. The solu