SAMPL5 Distribution coefficients
- Bas Rustenburg
- Genentech, South San Francisco, CA
- Memorial Sloan Kettering, New York, NY // Chodera Lab
- John Chodera
- Memorial Sloan Kettering, New York, NY
- David Mobley
- University of California, Irvine, Irvine, CA
As part of the SAMPL5 challenge, cyclohexane-water distribution coefficients (Log D) have been measured at Genentech for 53 small, drug-like molecules. The technique used is a mass spectrometry-based assay as described in Lin & Pease, 2013.
Manuscript for all files used to generate figures and tables for the manuscript.
bootstrap_code/bootstrap_model.py for our bootstrap analysis code.
The experimental data that was used for the analysis is found in
Additionally, unprocessed, raw data files, as well as processing scripts are found in
docs for a documentation of the analysis.
- Dan Ortwine, Genentech
- Baiwei Lin, Genentech
- Joseph Pease, Genentech
- Justin Dancer, Genentech
- JW Feng, Denali Therapeutics
- Caitlin Bannan, University of California, Irvine // Mobley Lab