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
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)