Top Tweets for #CacheChallenge
Check out the preprint @biorxivpreprint detailing #CACHEChallenge 1!
The success of these challenges is powered by the always excellent work of Matthieu & the SGC, as well as invaluable expertise and support of CACHE Members from @Bayer and @Boehringer
#CADD #OpenScience
All participants to CACHE #1 who agreed to be de-anonymized were invited to join the overview manuscript. The first of a long series to serve as a resource for future developments in virtual screening workflows. https://t.co/ZArbyTvIgi @thesgconline @consciencemeds #compchem
One of the neat things about the #openscience #cachechallenge is that industry participants (and high performers @merckgroup) can talk openly about their work and methods!
Hey #CACHEchallenge enthusiasts, after the symposium, take a look at some postmortem work out team @MolForecaster did, now updated on @ChemRxiv. Scroll to the “Two Years Later” section!
https://t.co/9iL9s6Py0m
#openscience #CADD
cc: @consciencemeds @thesgconline
François Berenger sharing some obstacles their group faced in the #CACHEchallenge.
Our team @MolForecaster had some similar learnings, freshly published this morning in @ChemRxiv: https://t.co/9iL9s6Py0m
Back for more. Day 2, let’s go.
#CACHEchallenge
Dr. Christoph Gorgulla describing Virtual Flow used in this #CACHEchallenge
Drs. Judith Guenther and Uta Lessel give rationale for pharma and #industry support for the #CACHEchallenge
We’re glad to see great alignment across the community.
They’ll take us through how their core technology GNINA's convolutional neural networks were trained, the Pharmit resource for online virtual screening, and how these were applied to #CACHEChallenge 1.
We’re excited that @cgorgulla will be the first #CACHEChallenge participant to take the stage at the #CACHESymposium in 8 days.
The method used by his team was one of the 7 top-performers in Challenge 1.
What makes their method interesting from an #OpenScience perspective is...
Congratulations to the CMU-UBC team for their top-notch work in our first #CACHEChallenge!
You can hear from @olexandr himself about their methods at the #CACHESymposium, March 6-7 in Toronto.
Register here: https://t.co/4zLkz9X7kT
Little write-up for our CMU-UBC team competing (and winning 🏆 ) for CACHE #1 challenge! Finding small molecule hits with #compchem methods for a challenging LRRK2 WDR domain. #drugdiscovery
https://t.co/6E0YsjiNE1
If you missed the announcement, #CACHEChallenge 5 is accepting applications!
There are lots of reasons to apply, but it bears emphasizing that Canadian Academics have 💯% of their costs covered.
That's right.
Cutting edge science, world class validation, all covered.
Apply 👇
Speakers Judith Guenther from @Bayer & Uta Lessel from @Boehringer Ingelheim helped design the #CACHEChallenge, bringing to bear the power of benchmarking and #OpenScience
Find the program: https://t.co/u13eczX353
And register here: https://t.co/4zLkz9X7kT
The pharmaceutical industry has to be up to date on the state of the art in #AI and #DrugDesign
Benchmarking is crucial, but sound systematic comparison of methods is missing
At the #CACHESymposium you can hear from industry experts how each #CACHEChallenge fills that gap
The #CACHEChallenge is one of a lineage of scientific prediction challenges testing just how good our comp. methods are.
No one knows that better than the #CACHESymposium keynote speaker, John Moult from @UofMaryland, who’ll tell us about the CASP and other important challenges
Big shoutout to the SGC @UofT team for screening 1739 compounds. As CACHE's experimental arm, we're sharing all binders, screening data, and structures of experimentally tested compounds openly, free from IP restrictions.
#OpenScience #DrugDiscovery #CACHEChallenge #SARSCoV2
Experimental testing of 1739 compounds predicted by 23 CACHE #3 participants to bind the Macro domain of SARS-CoV-2 NSP3 is out. 28 compounds selected by 9 participants were confirmed and advanced to the hit-expansion round. https://t.co/0ExqahcSz9 #compchem @thesgconline
More coverage of the results from #CACHEChallenge 1, released last week.
https://t.co/1eVnfHXQnl
This one with some great quotes from @olexandr, who teamed up with @MKCMU and Artem Cherkasov at @VanProstateCtr to submit one of the top-scoring predictions.
He's also speaking 👇
Round 1 results from #CACHEChallenge #3 out now!
This one targeted the macrodomain of SARS-CoV-2 NSP3.
Really looking forward to see what comes out of hit expansion in Round 2.
See 👇for data and details on how compounds were tested.
Experimental testing of 1739 compounds predicted by 23 CACHE #3 participants to bind the Macro domain of SARS-CoV-2 NSP3 is out. 28 compounds selected by 9 participants were confirmed and advanced to the hit-expansion round. https://t.co/0ExqahcSz9 #compchem @thesgconline
The results of #CACHEChallenge 1 featured in @parkinsonstory.
Great blend of optimism about the treatments these hits could lead to while also cautiously noting that they are "starting points."
It's the blend of hope and realism that this space needs.
https://t.co/B7vIstnF27
The @thesgconline team led by @mattschap has been hard at work checking the predictions from Round 1 of #CACHEChallenge 2 against reality.
That's the only way to know what's real and whats wishful thinking!
Want to be a part of CACHE 5?
Apply here: https://t.co/mAaVxK2Xc9
16 CACHE #2 participants advanced to Round 2: hit expansion. The biophysics team @thesgconline just received their 617 selected analogs. Screening is about to begin against the SARS-CoV-2 helicase NSP13! https://t.co/nLFiHF0gT6 #compchem
The #CACHEChallenge is led by @mattschap with @consciencemeds and @thesgconline - today’s release shares the data and predicted hits openly with the world. We’re thrilled for the top performing researchers. Detailed results, including the data, are here: https://t.co/a4BpbZy7zq
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