The 2014 TDTi competition resulted in 16 high quality computational chemistry tutorials submitted across the four challenges. The judging panel selected the top three winners based on the published criteria for scientific content, presentation and clarity, educational benefit, and reproducibility. The winners receive a TDTi Travel Award when presenting their work at the TDTi 2014 Challenge Award symposium at the ACS 2014 Fall meeting in San Francisco. Stay tuned for updates on the time and location of the symposium and celebratory social event!
First Place – OpenEye Award
Anti-Malaria Hit Finding Using Classifier-Fusion Boosted Predictive Models (Challenge 1)
Sereina Riniker and Gregory A Landrum
Novartis Institutes for BioMedical Research
Second Place – KNIME Award
myChEMBL Virtual Machine: Integration of open cheminformatics tools and open bioactivity data (Challenge 4)
Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, and John P Overington
European Bioinformatics Institute (EMBL-EBI)
Third Place – Cresset Award
Teach-Discover-Treat 2014, Part 3: Molecular Docking with DOCK 3.7 (Challenge 3)
Ryan G Coleman and Joel Karpiak
Department of Pharmaceutical Chemistry, University of California San Francisco
The steering committee decided to also recognize the submissions with the best predictive power in the challenges that included held-out test sets. The list of compounds selected by the winners of these prediction challenges will be ordered for screening by our partners. In addition, they will receive reimbursement of one registration fee to the ACS 2014 Fall meeting in San Francisco. The winners are:
Challenge 1: CCL-Malaria
Santiago D Villalba (1) and Floriane Montanari (2)
1. Institute of Molecular Pathology, Vienna, Austria
2. Department of Pharmaceutical Chemistry, University of Vienna, Austria
Challenge 2: Winner is still unknown and will be announced later.
Challenge 3: Teach-Discover-Treat 2014, Part 3: Molecular Docking with DOCK 3.7
Ryan G Coleman, Joel Karpiak
Department of Pharmaceutical Chemistry, University of California San Francisco
All tutorials will be made available for download on this website at the time of the Award symposium.
First Place – OpenEye Award
Anti-Malaria Hit Finding Using Classifier-Fusion Boosted Predictive Models (Challenge 1)
Sereina Riniker and Gregory A Landrum
Novartis Institutes for BioMedical Research
Second Place – KNIME Award
myChEMBL Virtual Machine: Integration of open cheminformatics tools and open bioactivity data (Challenge 4)
Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, and John P Overington
European Bioinformatics Institute (EMBL-EBI)
Third Place – Cresset Award
Teach-Discover-Treat 2014, Part 3: Molecular Docking with DOCK 3.7 (Challenge 3)
Ryan G Coleman and Joel Karpiak
Department of Pharmaceutical Chemistry, University of California San Francisco
The steering committee decided to also recognize the submissions with the best predictive power in the challenges that included held-out test sets. The list of compounds selected by the winners of these prediction challenges will be ordered for screening by our partners. In addition, they will receive reimbursement of one registration fee to the ACS 2014 Fall meeting in San Francisco. The winners are:
Challenge 1: CCL-Malaria
Santiago D Villalba (1) and Floriane Montanari (2)
1. Institute of Molecular Pathology, Vienna, Austria
2. Department of Pharmaceutical Chemistry, University of Vienna, Austria
Challenge 2: Winner is still unknown and will be announced later.
Challenge 3: Teach-Discover-Treat 2014, Part 3: Molecular Docking with DOCK 3.7
Ryan G Coleman, Joel Karpiak
Department of Pharmaceutical Chemistry, University of California San Francisco
All tutorials will be made available for download on this website at the time of the Award symposium.
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