Details for the competition


Use freely available software tools and develop tutorials & models for workflows as requested in the challenges.

Criteria to Judge

  • Quality of predictive models
    • Statistical measures, held-out test sets
  • Quality of workflows
    • Are these state-of-the-art?
  • Clarity of the tutorials
    • Suitable for undergraduate courses
    • Include principles of underlying science
    • Include description of “common pitfalls”
    • Include description of all preparative steps & required resource
  • Ease of use of the tools
    • Can they be tailored/amended if new insights emerge (project specific or general insights)?
  • Innovation of the computational methods

Judging Panel

Pat Walters (Chair, Vertex), Yvonne Martin (Abbott, retired), Steve Johnson (BMS), Rajarshi Guha (NIH/NCATS), Steve Dixon (Schrödinger)

Award for Winner(s) of the Competition

Travel awards to cover up to $1,500 in travel expenses for presenting work at the New Orleans ACS COMP TDT symposium.


  • Competition opens March 25th at the San Diego ACS meeting (spring 2012)
  • Competition closes September 8th, 2012
  • Winners announced & drug discovery efforts start October 17th, 2012
  • Awardee presentations at the New Orleans ACS meeting (spring 2013)