New tutorial alert: Watch Connor W. Coley from MIT and Steven Kearnes from Relay Therapeutics discuss the structure and applications of the Open Reaction Database!

Link: youtu.be/eMbgkvNek0c

#OpenReactionDatabase #Chemistry #innovation #ComputationChemistry #NSF #CCAS

Excited to have Ben Deadman on board!

Congrats to the Open Reaction Database team for their work to create open data for chemistry, supported by Schmidt Futures. #AIforScience

Our (biased) perspective on data sharing in chemistry: pubs.acs.org/doi/10.1021/ac…

Couldn´t agree more with this editorial. Without quality data there is no quality AI systems. The challenges to generate quality, unbiased, accesible datasets are manifold. Some solutions are linked in the paper like the ORD. Connor W. Coley Steven Kearnes nature.com/articles/d4158…

2/ I'll briefly describe the Open Reaction Database (pubs.acs.org/doi/10.1021/ja…) in Monday PM's 'Data formats, Open Databases, APIs & Data Accessibility' session on behalf of the team including Steven Kearnes and others

Read more about Automated Chemical Design: pubs.acs.org/doi/10.1021/ac…

It's official: `pip install rdkit` 🎉
github.com/rdkit/rdkit/pu…

How automated is your chemical design platform? Introducing Automated Chemical Design (ACD) Levels to help researchers place their work in the context of system-level optimization. pubs.acs.org/doi/10.1021/ac…

Announcing CACHE, a prospective computational hit finding competition. Select 100 compounds for the first target, LRRK2: CACHE will order and test them experimentally. All data will be public. Apply by Jan. 31st. bit.ly/3EiIVJC bit.ly/3obhyvm Structural Genomics Consortium (SGC)

A group of researchers are launching an open-source database of chemical synthesis procedures that they think will benefit artificial intelligence algorithms for reaction prediction, synthesis planning, and other tasks: fal.cn/3k6jn

Thanks to Sam Lemonick and C&EN (Chemical & Engineering News) for featuring the Open Reaction Database! cen.acs.org/physical-chemi…

It's nice when the paper describing (part of) the solution pubs.acs.org/doi/10.1021/ja… appears before the paper declaring a problem pubs.acs.org/doi/10.1021/ac…

From different groups of course.

Check out our Director of AI Research Steven Kearnes' newly published work on the Open Reaction Database, an open-access initiative for sharing chemical reaction data, written with peers at Massachusetts Institute of Technology (MIT), Merck, @Pfizer, UCLA, NSF Center for Computer Assisted Synthesis, Google & Caltech. bit.ly/3BOLGjM

Just online J. Am. Chem. Soc. - The Open Reaction Database - congrats to Abby Doyle Connor W. Coley and collaborators!
pubs.acs.org/doi/full/10.10…
#datachem #opensource

Join us at Relay Therapeutics as we drive AI applications in drug discovery! We're building a world-class team---with Patrick Riley, Brian Goldman, and Patrick Walters.

Apply here: linkedin.com/jobs/view/2566…