𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure-Property Relationship

✍ Scribed by Sutter, J.M.; Jurs, P.C.

Book ID
126413517
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
135 KB
Volume
36
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Prediction of aqueous solubility of orga
Prediction of aqueous solubility of organic compounds using a quantitative structure–property relationship
✍ Chen, Xue Qing (author);Cho, Sung Jin (author);Li, Yi (author);Venkatesh, Srini 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 155 KB

A quantitative structure-property relationship (QSPR) was developed for predicting the aqueous solubility of drug-like compounds from their chemical structures. A set of 321 structurally diverse drugs or related compounds, with their intrinsic aqueous solubility collected from literature, was used i

Prediction of liquid viscosity for organ
Prediction of liquid viscosity for organic compounds by a quantitative structure–property relationship
✍ Alan R. Katritzky; Ke Chen; Yilin Wang; Mati Karelson; Bono Lucic; Nenad Trinajs 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 69 KB 👁 2 views

The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was investigated using a quantitative structure-property relationship (QSPR) approach. A five-descriptor equation was obtained with a squared correlation coefficient (R 2 ) of 0.854 and a standard error (S) of 0.2