Group contribution methods to estimate water solubility of organic chemicals

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation

Gilles Klopman, Shaomeng Wang, Donald M. Balthasar · Journal of Chemical Information and Computer Sciences · 1992 · 167 citations

Natural Sciences, Chemistry, Analytical Chemistry +11

Development of an automatic estimation system for both the partition coefficient and aqueous solubility

Takahiro Suzuki · Journal of Computer-Aided Molecular Design · 1991 · 88 citations

Pharmacy, Chemistry, Pharmaceutical Analysis +10

A method for calculation of the aqueous solubility of organic compounds by using new fragment solubility constants.

Keiko Wakita, Masafumi Yoshimoto, Shuichi Miyamoto et al. · Chemical and Pharmaceutical Bulletin · 1986 · 75 citations · Full text

Natural Sciences, Chemistry, Analytical Chemistry +12

Prediction of aqueous solubility of organic chemicals based on molecular structure. 2. Application to PNAs, PCBs, PCDDs, etc

Nagamany Nirmalakhandan, Richard E. Speece · Environmental Science & Technology · 1989 · 62 citations

Natural Sciences, Chemistry, Toxicology +16

Estimation of the aqueous solubility of complex organic compounds

Samuel H. Yalkowsky · Chemosphere · 1993 · 49 citations

Natural Sciences, Chemistry, Pharmaceutical Analysis +14