Getting medicines to patients faster is the ultimate goal for drug discovery teams who are often hindered with long timelines and low success rates. Large scale virtual screening of massive, synthetically tractable compound libraries has proven to be an extremely valuable approach for significantly improving the classic design-make-test cycle times and enabling program teams to make key decisions quickly. This is especially true given the billion-member compound libraries that can be reasonably accessed today. Practical application of these virtual screening tools on active drug discovery programs to enable hit to lead discovery and lead optimization require development of workflows for triaging these large chemical spaces. This talk will highlight the work that we’ve been doing at GSK to address this critical need, explore our chemical space and proactively apply large scale virtual screening to our internal programs.

Exploring GSK space: Practical application of large scale virtual screening

ACS Fall 2020 Virtual Meeting

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