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Proteins and Protein-ligand Interactions II Chair: Matthias Rarey |
|
| 9:00-9:30 | 22. The Novelty Score: Prioritising Compounds that Potentially Form Novel Protein-ligand Interactions and Novel Scaffolds Using an Interaction Centric Approach Hannah Patel, University of Oxford (Abstract) |
| 9:30-10:00 | 23. Identification of Privileged Scaffolds and Recurring Folding Patterns in Proteins Oliver Koch, Technical University of Dortmund (Abstract) |
| 10:00-10:30 | 24. A Diverse Test Set for the Validation of Scoring Functions Based on Matched Molecular Pairs Lena Kalinowsky, Goethe University Frankfurt (Abstract) |
| 10:30-11:00 |
Tea/Coffee (Exhibition and Poster areas) |
|
QSAR Chair: Val Gillet |
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| 11:00-11:30 | 25. Estimating the Uncertainty of Ensemble Regression Model Predictions Robert D. Clark, Simulations Plus Inc. (Abstract) |
| 11:30-12:00 | 26. A Bayesian Algorithm for Finding Novel Small Organic Molecules Ryo Yoshida, The Institute of Statistical Mathematics, Research Organization of Information and Systems (Abstract) |
| 12:00-12:30 | 27. Target Fishing, QSAR, PCM, or Deep Learning? Which Method to Use for Public Data Modeling and When to Use It Gerard J. P. van Westen, Leiden Academic Centre for Drug Research (Abstract) |
| 12:30-13:00 | 28. MOEsaic: Making SAR Analysis Easier Through the Use of Matched Molecular Pairs Jameed Hussain, Chemical Computing Group (Abstract) |
| 13:00-14:00 |
Sit-down Lunch (Dining Room) Departure |
| <Tuesday 5th |
