About the Authors

Ronald C. Hendrickson

Contributed equally to this work with: Ronald C. Hendrickson, Nathan A. Yates

hendricr@mskcc.org

Current Address: Memorial Sloan Kettering Cancer Center, New York, NY, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Anita Y. H. Lee

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Qinghua Song

Current Address: Gilead, San Francisco, CA, United States of America,

Affiliation Biometrics, Merck & Co., Rahway, NJ, United States of America

Andy Liaw

Affiliation Biometrics, Merck & Co., Rahway, NJ, United States of America

Matt Wiener

Affiliation Applied Computer Science and Mathematics, Merck & Co., Rahway, NJ, United States of America

Cloud P. Paweletz

Current Address: Belfer Institute for Applied Cancer Science, Dana-Farber Cancer Institute, Boston, MA, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Jeffrey L. Seeburger

Affiliation Clinical Neuroscience and Ophthalmology, Merck & Co., West Point, PA, United States of America

Jenny Li

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Fanyu Meng

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Ekaterina G. Deyanova

Current Address: Bristol Myers Squibb, Princeton, NJ, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Matthew T. Mazur

Current Address: Imclone, New York, NY, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Robert E. Settlage

Current Address: Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, VA, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Xuemei Zhao

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Katie Southwick

Current Address: ThermoFisher Scientific, San Jose, CA, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Yi Du

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Dan Holder

Affiliation Biometrics, Merck & Co., West Point, PA, United States of America

Jeffrey R. Sachs

Affiliation Applied Computer Science and Mathematics, Merck & Co., Rahway, NJ, United States of America

Omar F. Laterza

Affiliation Clinical Development Laboratory, Merck & Co., Rahway, NJ, United States of America

Aimee Dallob

Affiliation Clinical Development Laboratory, Merck & Co., Rahway, NJ, United States of America

Derek L. Chappell

Affiliation Clinical Development Laboratory, Merck & Co., Rahway, NJ, United States of America

Karen Snyder

Affiliation Clinical Development Laboratory, Merck & Co., Rahway, NJ, United States of America

Vijay Modur

Current Address: Genzyme, Cambridge, MA, United States of America,

Affiliation Neuroscience Basic Research, Merck & Co., West Point, PA, United States of America

Elizabeth King

Affiliation OPTIMA, University of Oxford, Department of Pharmacology, Oxford United Kingdom

Catharine Joachim

Affiliation OPTIMA, University of Oxford, Department of Pharmacology, Oxford United Kingdom

Andrey Y. Bondarenko

Current Address: InfoClinika, Seattle, WA, United States of America,

Affiliation Rosetta Biosoftware, Seattle, WA, United States of America

Mark Shearman

Current Address: Applied Genetic Technologies Corporation, Boston, MA, United States of America,

Affiliation Neuroscience Basic Research, Merck & Co., West Point, PA, United States of America

Keith A. Soper

Affiliation Biometrics, Merck & Co., West Point, PA, United States of America

A. David Smith

Affiliation OPTIMA, University of Oxford, Department of Pharmacology, Oxford United Kingdom

William Z. Potter

Affiliation Clinical Neuroscience and Ophthalmology, Merck & Co., West Point, PA, United States of America

Ken S. Koblan

Affiliation Neuroscience Basic Research, Merck & Co., West Point, PA, United States of America

Alan B. Sachs

Current Address: ThermoFisher Scientific, Carlsbad, CA, United States of America,

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Nathan A. Yates

Contributed equally to this work with: Ronald C. Hendrickson, Nathan A. Yates

Current Address: University of Pittsburg School of Medicine, Pittsburgh, PA, United States of America

Affiliation Departments of Exploratory and Translational Sciences, Merck & Co., Rahway, NJ, United States of America

Competing Interests

All authors performed this study while employees at Merck & Co. or Oxford University or Rosetta Biosoftware. Some authors own stock or stock options in Merck & Co. This does not alter the authors' adherence to PLOS ONE policies on sharing data and materials.

Author Contributions

Conceived and designed the experiments: RCH A. Liaw MW VM MS KAS ADS WZP KSK ABS NAY. Performed the experiments: AYHL CPP JL FM EGD MTM RES XZ K. Southwick YD AD DLC K. Snyder NAY. Analyzed the data: QS A. Liaw MW DH KAS. Contributed reagents/materials/analysis tools: MW JLS OFL EK CJ AYB ADS. Wrote the paper: RCH QS A. Liaw MW JLS ADS NAY. Designed the software used in the analysis: MW JRS AYB.