BiophysicsbioRxiv
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
Ariën S Rustenburg, Justin Dancer, Baiwei Lin…·John D. Chodera
The paper measures cyclohexane-water distribution coefficients for 53 druglike compounds and evaluates their use in assessing predictive physical models for drug discovery.
DOI 10.1007/s10822-016-9971-7