Simon Axelrod

Computational chemistry and machine learning @DEShawResearch | PhD at @HarvardCCB and @mit_dmse 2023 | @uoftphysics 2017 | @queensu 2016

[Simon Axelrod @AxelrodSimon]

Love it. Clinical trial failures are still the biggest problem in drug discovery. Any progress here would be huge

[Rohil Badkundri @rohilbadkundri]

We used AI to predict the failure of a Phase 3 trial before the results were announced. Today, we're publishing 10 more predictions for the future.

Thread 🧵

[Simon Axelrod @AxelrodSimon]

Come say hi to the DESRES team! @DEShawResearch

[Lucky Pattanaik @lucky_pattanaik]

At #NeurIPS23 this week with @DEShawResearch ! Stop by booth 421 if you wanna say hi!

[Simon Axelrod @AxelrodSimon]

@arkitus Unbelievable

[Simon Axelrod @AxelrodSimon]

@olexandr One of the dumbest things I’ve ever seen

[Simon Axelrod @AxelrodSimon]

@AdaFang_ @MIT So productive so early on! Awesome

[Simon Axelrod @AxelrodSimon]

@StevenLopez_neu Thanks so much, Steven!

[Simon Axelrod @AxelrodSimon]

@ML_Chem @RGBLabMIT

[Machine Learning in Chemistry @ML_Chem]

Mapping the Space of Photoswitchable Ligands and Photodruggable Proteins with Computational Modeling #machinelearning #compchem https://t.co/0z701CXcN3

[Machine Learning: Science and Technology @MLSTjournal]

Great new work by @AxelrodSimon @RGBLabMIT @mit_dmse @HarvardCCB - 'Molecular #machinelearning with conformer ensembles' - https://t.co/xjpiFqmkRv #compchem #compbio #molecules #AI #drugdiscovery #HPC

[Johannes Dietschreit @JDietschreit]

Happy for the opportunity to present my latest work done in @RGBLabMIT at #ACSFall2023.

[Simon Axelrod @AxelrodSimon]

@EuSerebryany @stonybrooku Congrats Eugene!! Well-deserved!

[Simon Axelrod @AxelrodSimon]

@devivo_marco @RGBLabMIT Then maybe you should have written the computational paper first?

[DMSE at MIT @mit_dmse]

Rafael Gomez-Bombarelli was one of twenty-six members of the MIT engineering faculty and researchers who received awards in recognition of their scholarship, service, and overall excellence in the past calendar quarter.

[Simon Axelrod @AxelrodSimon]

@hardsphere Ah yes this makes total sense

[Simon Axelrod @AxelrodSimon]

@GraceGDHan Thanks Grace!! So nice of you to share this 🙂

[RGB Lab @ MIT @RGBLabMIT]

How to optimize the per-site activity of oxide catalysts? Check out our work, "Atom-by-Atom Design of Metal Oxide Catalysts for the Oxygen Evolution Reaction with Machine Learning," led by our new PhD graduate, Jackie, and in collaboration with @EELabMIT! https://t.co/DEuBcQ8SEE

[Simon Axelrod @AxelrodSimon]

@BenBlaiszik All work and no play makes Ben a dull boy

[Electrochemical Energy Laboratory @EELabMIT]

Jackie’s defense brought this amazing group of young people and big bright smiles together with @RGBLabMIT @mit_dmse @MITMechE @RLEatMIT

[Simon Axelrod @AxelrodSimon]

@WillMcCorki1 Plz share your thesis by breaking it into 280 character sections and tweeting as a thread 🧵. Thnx

[Simon Axelrod @AxelrodSimon]

@pfau @FrankNoeBerlin @gppcarleo @exp_n Unbelievable!!