Computational Tools for Drug Discovery Workshops
The RSC Chemical Information and Computer Applications Group in collaboration with the SCI Fine Chemicals Group have just finished a series of virtual workshops on Computational Tools for Drug Discovery. This series of events was put together to replace a physical one-day workshop due to be held in Leeds. The one day event would have been able to accommodate 50-60 attendees and I'm delighted to report that the online Wednesday workshops were attended by a total of 538 people, so we were able to support an order of magnitude larger audience.
I'd like to thank all the companies that participated in the workshops,
- MedChemica - MedChemica’s MCPairs Online - An idea generation tool based on Matched Molecular Pair Analysis and Machine Learning.
- OpenEye - Practical drug discovery in the cloud using ORION.
- Cresset - Combining ligand and structure-based approaches to improve molecule design using Cresset desktop solutions.
- CCDC - Structure-based drug design with CSD-Discovery.
- Optibrium - Guided Multi-Parameter Optimisation of 2D and 3D SAR.
- KNIME - An interactive workflow for hit list triaging.
- CDD Vault – Managing, Archiving, Mining, Reporting, and Analyzing Collaborative Drug Discovery Data
The feedback from attendees has been very positive and there will now be a short break whilst we organise the next series of workshops for later in the year.
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