Ionization Constants by Curve Fitting: Determination of Partition and Distribution Coefficients of Acids and Bases and Their Ions

Substituent Constants for Correlation Analysis in Chemistry and Biology.

Gordon L. Flynn · Journal of Pharmaceutical Sciences · 1980 · 2.8K citations

Pharmacy, Chemistry, Medicinal Chemistry +12

A nonlinear regression program for small computers

Ronald G. Duggleby · Analytical Biochemistry · 1981 · 564 citations

Natural Sciences, Computer Science, Scientific Computing +7

Use of distribution coefficients in quantitative structure-activity relations

Robert A. Scherrer, Susan Howard · Journal of Medicinal Chemistry · 1977 · 233 citations

Pharmacy, Biostatistics, Social Media Analytics +6

QSAR and strategies in the design of bioactive compounds

Joachim K. Seydel · 1985 · 159 citations

Pharmacy, Medicinal Chemistry, Pharmacology +12

TITFIT, a comprehensive program for numerical treatment of potentiometric data by using analytical derivatives and automatically optimized subroutines with the Newton—Gauss—Marquardt algorithm

Andreas D. Zuberbühler, Thomas A. Kaden · Talanta · 1982 · 152 citations

Natural Sciences, Chemistry, Analytical Chemistry +10