Concepedia

Prediction of partition coefficient and toxicity for benzaldehyde compounds by their capacity factors and various molecular descriptors

Jiayin Dai, Lijun Jin, Shuchun Yao, Liansheng Wang

Chemosphere · 2001 · 45 citations · 16 references

DOI

Concepts

References

16

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +4

Gradient elution in high-performance liquid chromatography

Lloyd R. Snyder, John W. Dolan, J.R. Gant · Journal of Chromatography A · 1979 · 841 citations

, , +12

Improved method for estimating water solubility from octanol/water partition coefficient

William M. Meylan, Philip H. Howard, Robert S. Boethling · Environmental Toxicology and Chemistry · 1996 · 228 citations

, , +13

Molecular topology/fragment contribution method for predicting soil sorption coefficients

William M. Meylan, Philip H. Howard, Robert S. Boethling · Environmental Science & Technology · 1992 · 209 citations

, , +9