From fragments to leads... At the start of the pandemic a team at Oxford University crystallised and performed a fragment screen in record time before the first lockdown started. They then posted the results on-line, thinking maybe they would get a bit of input from the global chemistry community. The outcome was a tidal wave
Taking the lead... The open source collaboration to fine small molecule inhibitors of SARS-COV2 protease moves on at considerable pace. A large multi-national team of chemists have been submitting ideas for a couple of months and the project requires someone to step into a leading role to co-ordinate. MedChemica is pleased that our own Ed
Breaking news - MedChemica has joined the global ranks of medicinal chemists in the search for small molecule inhibitors of SARS-COV2 protease. In just a few short months, incredibly, the folks at Oxford university have crystallised the protease and performed a fragment based screen. The results have been made available in an open science projects
Machine Learning modules - Toxophores / Pharmacophores - 1st Feb 2019 We aim for each annual major release to include a new tool. V1.6 is one of our biggest upgrades in functionality. A new suite of Machine Learning (ML) models for predicting 'potency' against primary targets has been added. MCPairs Online is now running this
Managing director, Al Dossetter, just posted on LinkedIn and article about the possible downfall of Artificial Intelligence in Life Sciences. See what you think? Click here to read:
SpotDesign helps you explore the evidence to support your medicinal chemistry plans.
https://www.linkedin.com/pulse/ai-big-data-medicinal-chemist-ed-griffen/
https://doi.org/10.1016/j.drudis.2018.03.011
