Requirements

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.

Timeline

• 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)