ClogPalk: a method for predicting alkane/water partition coefficient

A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

(2012) Nadine Schneider et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

(2010) Paul C. D. Hawkins et al.   Journal of Chemical Information and Modeling

Design of compound libraries for fragment screening

(2009) Niklas Blomberg et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

COSMO-RS as a Predictive Tool for Lipophilicity

(2009) Carsten Wittekindt et al.   Quantitative structure-activity relationships & combinatorial science

Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients

(2008) Mohamed Zerara et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Toward Prediction of Alkane/Water Partition Coefficients

(2008) Anita Toulmin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ligand Binding Efficiency: Trends, Physical Basis, and Implications

(2008) Charles H. Reynolds et al.   JOURNAL OF MEDICINAL CHEMISTRY