David Kreutter (@DavidKreutter) - Twitter Profili

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David Kreutter@DavidKreutter·1 Haz

Check out my first, first-author publication of my Ph.D.! 🎉 We predict Enzymatic Reactions using a Molecular Transformer. #Biocatalysis #Biotransformation #MachineLearning #Datascience #Transformers #ChemicalScience #RoyalSocietyofChemistry

Chemical Science@ChemicalScience

NEW in Chemical Science 📢 Predicting enzymatic reactions with a molecular transformer by @DavidKreutter, @pschwllr, @jrjrjlr, @reymondgroup at @DCBunibern 🤩🎉 Read it here to find out more 👉 ow.ly/PBDJ50EZQiu

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David Kreutter@DavidKreutter·9 Eki

📢📄 I'm thrilled to share that my latest work has been published! We integrated experimental biocatalysis reactions from Reaxys into our synthesis planning tool to make it explore chemoenzymatic retrosynthesis routes. #MachineLearning #Transformer @DCBPunibern

Reymond Group@reymondgroup

🎊Our paper "Chemoenzymatic Multistep Retrosynthesis with Transformer Loops" by @DavidKreutter and @jrjrjlr is now published on @RoySocChem Chemical Sciences! 👉Read it here: pubs.rsc.org/en/Content/Art… @DCBPunibern @unibern @reymondgroup #Transformers #triple_transformer_loop

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David Kreutter@DavidKreutter·18 Nis

📢Preprint expanding our multistep retrosynthesis tool to biocatalysis with transformers trained on Reaxys experimental data now explores mixed chemo and biocatalytic routes! Preprint: chemrxiv.org/engage/chemrxi… GitHub: github.com/reymond-group/… @jrjrjlr @reymondgroup #biocatalysis

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David Kreutter@DavidKreutter·30 Mar

Check out my Multistep #retrosynthesis tool now available on GitHub! #Chemistry #synthesisplanning #MachineLearning #compchem #cheminformatics #chemoinformatics

Reymond Group@reymondgroup

📢Preprint update of our new multistep #retrosynthesis tool via Disconnection Aware Triple Transformer Loop + Route Penalty Score. Preprint: chemrxiv.org/engage/chemrxi… GitHub: github.com/reymond-group/… By @DavidKreutter @jrjrjlr @DCBPunibern #TransformerModel #ML #AI #chemtwitter

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David Kreutter@DavidKreutter·9 Kas

My preprint about Multistep Retrosynthesis is finally out!! It uses a Disconnection Aware Triple Transformer Loop and it is guided by a Route Penalty Score. Check out #retrosynthesis examples on recently approved drugs! #cheminformatics #TransformerArchitecture #synthesisplanning

Reymond Group@reymondgroup

📢Check out our preprint: Multistep Retrosynthesis by Disconnection Aware Triple Transformer Loop + Route Penalty Score. We successfully find #retrosynthesis on approved drugs! By @DavidKreutter @jrjrjlr @DCBPunibern #TransformerModel #ML #AI #chemtwitter tinyurl.com/MultistepTTL

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David Kreutter retweetledi

Reymond Group@reymondgroup·6 Eki

📢We are #hiring! Two fully funded PhD student positions are open in our group @reymondgroup @jrjrjlr, starting Feb. 2023 to carry out a PhD thesis in Synthetic Organic/Medicinal Chemistry or Cheminformatics. 👉Find out more: gdb.unibe.ch/positions @DCBPunibern #chemtwitter #PhD

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David Kreutter retweetledi

Philippe Schwaller (he/him)@pschwllr·1 Tem

1/ What makes this @ChemicalScience front cover so special is how it was made. It is probably the first-ever journal cover designed using a VQGAN + CLIP and the unreal engine trick! #VQGAN #CLIP #GenerativeArt More information in the thread ⬇️

Chemical Science@ChemicalScience

Issue 25 is here 🎉 Featured on our front cover today is Jean-Louis Reymond et al.'s latest work on predicting enzymatic reactions with a molecular transformer 🤩 Read it here 👉 ow.ly/OvE550Fmtct 📍 @unibern | #ChemSciCovers🎨

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Reymond Group@reymondgroup·1 Tem

Congratulations to @DavidKreutter!! His first, first author publication in the group is now on the cover of @ChemicalScience Read it here 👉 ow.ly/OvE550Fmtct #Chemistry #Catalysis #VQGAN #machinelearning #ai #compchem @DCBunibern

Chemical Science@ChemicalScience

Issue 25 is here 🎉 Featured on our front cover today is Jean-Louis Reymond et al.'s latest work on predicting enzymatic reactions with a molecular transformer 🤩 Read it here 👉 ow.ly/OvE550Fmtct 📍 @unibern | #ChemSciCovers🎨

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David Kreutter retweetledi

Chemical Science@ChemicalScience·1 Tem

Issue 25 is here 🎉 Featured on our front cover today is Jean-Louis Reymond et al.'s latest work on predicting enzymatic reactions with a molecular transformer 🤩 Read it here 👉 ow.ly/OvE550Fmtct 📍 @unibern | #ChemSciCovers🎨

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Philippe Schwaller (he/him)@pschwllr·3 Haz

“Enzymatic chemical reactions. Green chemistry. …” Currently a hot topic, recent work by @DavidKreutter (pubs.rsc.org/en/Content/Art…) and @skepteis (bit.ly/3hOLlHu)

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David Kreutter@DavidKreutter·1 Haz

@aquamansam1 @gabepgomes Thank you!

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aquamansam@aquamansam1·1 Haz

@DavidKreutter @gabepgomes Niice. Congrats!

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David Kreutter@DavidKreutter·1 Haz

Check out my first, first-author publication of my Ph.D.! 🎉 We predict Enzymatic Reactions using a Molecular Transformer. #Biocatalysis #Biotransformation #MachineLearning #Datascience #Transformers #ChemicalScience #RoyalSocietyofChemistry

Chemical Science@ChemicalScience

NEW in Chemical Science 📢 Predicting enzymatic reactions with a molecular transformer by @DavidKreutter, @pschwllr, @jrjrjlr, @reymondgroup at @DCBunibern 🤩🎉 Read it here to find out more 👉 ow.ly/PBDJ50EZQiu

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David Kreutter@DavidKreutter·1 Haz

@teodorolaino Thanks a lot!

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Teodoro Laino@teodorolaino·1 Haz

@DavidKreutter Awesome 😎 work 🙌

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David Kreutter retweetledi

Reymond Group@reymondgroup·25 May

Congratulations to @DavidKreutter for his first, first author publication of his PhD with @pschwllr ! Published in @ChemicalScience "Predicting Enzymatic Reactions with a Molecular Transformer" doi.org/10.1039/D1SC02… @DCBunibern #Biocatalysis #MachineLearning #Transformers

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Philippe Schwaller (he/him)@pschwllr·29 Oca

1/ One of the final pieces of my PhD is out in @NatMachIntell. Let’s explore chemical reaction space using language models! Article: rdcu.be/cenmd Blog: ibm.co/3t0kzPw Code: github.com/rxn4chemistry/… #ChemTwitter #CompChem @IBMResearch @reymondgroup @DCBunibern

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David Kreutter@DavidKreutter·31 Eki

My first publication preprint about Biocatalysis Reaction Prediction available on ChemRxiv!

Reymond Group@reymondgroup

New preprint! @DavidKreutter investigated how Molecular Transformers predict enzyme catalysed reactions. Enzymatic reactions could enable simplified, more economical, and selective synthetic routes not accessible to conventional reagents. ➡️bit.ly/2TDO8Go #compchem

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Philippe Schwaller (he/him)@pschwllr·16 Tem

@skepteis @acvaucher @teodorolaino @reymondgroup @IBMResearch The interactive version of the Reaction Atlas can be found on: rxn4chemistry.github.io/rxnfp//tmaps/t… -> @DavidKreutter