jeff101 Lv 1
On Wed June 21 2023, a company called Schrodinger is sponsoring a webinar called "The Predict-First Paradigm: How Digital Chemistry is Changing Drug Discovery" (see https://cen.acs.org/collections/webinars.html for details). It sounds a bit like what we are doing in Foldit Small Molecule Design Puzzles like 2316, with quotes like "Centralize technology: See how Schrödinger scientists used a digital chemistry platform to enhance crowdsourced ideation and team collaboration" and "This shift from design strategies based largely on experimental trial and error towards a ‘predict-first’ approach to drug discovery allows teams to dramatically expand the pool of molecules that can be explored and results in a highly interactive and fully in silico design-make-test-analyze (DMTA) cycle. Chemists are empowered to test hypotheses through predictive modeling and iteratively improve designs prior to compound synthesis. Teams can confidently spend time and energy exploring new, unknown, and often more complex designs while sending only the top performing molecules for synthesis."
More info about Schrodinger is at https://cloud.google.com/customers/schrodinger where I see the keyword "machine learning".
