SAMPL4, a blind challenge for computational solvation free energies: the compounds considered

Catalytic conversion of biomass using solvents derived from lignin

(2012) Pooya Azadi et al.   GREEN CHEMISTRY

The SAMPL3 blind prediction challenge: transfer energy overview

(2012) Matthew T. Geballe et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Liquid−Liquid Equilibria of the (Water + Ethanol + Linalyl Acetate) Ternary System at Different Temperatures

(2011) Aslı Gök et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Collinearity in Least-Squares Analysis

(2011) Robert de Levie   JOURNAL OF CHEMICAL EDUCATION

The SAMPL2 blind prediction challenge: introduction and overview

(2010) Matthew T. Geballe et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Pairwise Substitution Effects, Inter- and Intramolecular Hydrogen Bonds in Methoxyphenols and Dimethoxybenzenes. Thermochemistry, Calorimetry, and First-Principles Calculations

(2010) Mikhail A. Varfolomeev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamics of sublimation, thermophysical and structural aspects of the molecular crystals of fenamates

(2010) A. O. Surov et al.   JOURNAL OF STRUCTURAL CHEMISTRY

A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview

(2009) J. Peter Guthrie   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Recognition and Binding Free Energy Calculations in Drug Development

(2008) B. Dominy   CURRENT PHARMACEUTICAL BIOTECHNOLOGY

Henry’s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method

(2008) Chang Ji et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method

(2008) Jillian L. Goldfarb et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?

(2008) Antonio Llinàs et al.   Journal of Chemical Information and Modeling

Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry

(2008) Anthony Nicholls et al.   JOURNAL OF MEDICINAL CHEMISTRY