How cool is that - Philippe (@pschwllr) made the @EPFL_en front page with an award for his work on language models for chemical reactions (https://t.co/Gdr8d6SCdt). Congrats on the #PrixSchläfli, one of Switzerland's oldest natural sciences awards! @SCNATChemistry https://t.co/Q3yzzp6TpQ https://t.co/9hVDnGQWeY
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions.
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Mar 2021 – Jul 2023Where it's discussed
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X / Twitter47 posts
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Blogs4 articles
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YouTube2 videos
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Reddit2 posts
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News2 articles
AI synopsis
What people are saying
Discussions emphasize the innovative approach of extracting chemical grammar using AI, with words like 'exciting', 'innovative', and 'amazing', illustrating enthusiasm and recognition of impact. Examples include praise for the achievement of high-accuracy atom-mapping and mentions of how it advances chemical understanding, reflecting deep interest and engagement in the research's potential to change the field.
Most discussions express support and excitement for the significance of the research, with posts praising the technical achievements and overall importance.
Posts demonstrate high interest by highlighting the innovative methods and potential applications, showing enthusiasm for the breakthroughs.
Several posts reference specific techniques like atom-mapping and transformer models, indicating active engagement and understanding of technical details.
The widespread attention, awards, and recognition in prominent platforms suggest that the publication has considerable influence on the scientific community.
Abstract in brief
- The study explores how Transformer Neural Networks can learn how atoms rearrange during chemical reactions (atom-mapping) without needing manual annotations, by analyzing reaction data using attention weights.
- The researchers used these attention weights to create a chemically agnostic reaction mapper, which helps extract the underlying chemical grammar from unannotated reaction sets, improving understanding and representation of chemical reactions.
- Their approach is highly accurate and fast, even for complex reactions, bridging the gap between data-driven models and traditional rule-based methods in chemistry, and making reaction analysis more efficient.]
Top posts
Most liked on X and BlueskyWhat a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Thank you very much, Nathan! https://t.co/JFgtgqLlJa https://t.co/56VEuEeBrl
Some of my PhD work (including RXNMapper https://t.co/SyzvaZ6K5o) is featured in @philipcball’s latest column on “Learning the language of chemistry”! Thank you very much, Phil! Check it out in @ChemistryWorld ⬇️ https://t.co/8ELgK4U27l https://t.co/Y68zBHZYTR
@_lewtun In chemistry, some heads of Transformers learn how atoms rearrange during chemical reactions (without explicitly being trained on this task, just MLM). From this atom-mapping signal, we can then extract the rules/grammar of chemical reactions (https://t.co/2QDNiXDQEW).
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
Congratulations to @pschwllr on winning the #PrixSchläfli 2022 in chemistry! https://t.co/Jw9r10Sx1r Excellent publication: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions. Sci. Adv. 7, eabe4166 (2021). https://t.co/pKEoZQSeRF https://t.co/VaINs0sxxj
All mentions
RXN for Chemistry: Predicting Chemical Reactions Using AI
RXN for chemistry is a platform that utilizes advanced neural machine learning to predict chemical reaction outcomes. This video explores how models can infer synthesis steps from chemical equations, achieving over 50%…
Advancing Chemical Synthesis with AI-Based Transformers
This video explores how AI approaches are transforming organic chemistry. Prof. Philippe Schwaller discusses the development of linguistics-inspired Transformer models for chemical prediction, synthesis planning, and…
We tag the product SMILES using the atom-mapping notation [*:1] where, '*' is the atomic symbol of the atom on which the change occurs. We mapped the reactions using RXNMapper: https://t.co/X2AsrOkfAZ https://t.co/MD5ogS7Aa7
RT @av_thakkar: We tag the product SMILES using the atom-mapping notation [*:1] where, '*' is the atomic symbol of the atom on which the ch…
We tag the product SMILES using the atom-mapping notation [*:1] where, '*' is the atomic symbol of the atom on which the change occurs. We mapped the reactions using RXNMapper: https://t.co/X2AsrOkfAZ https://t.co/aRd18d0MsM
1. The untiring enthusiasm of motivated master students. Few of them picked up this paper: https://t.co/Jtw8olp5MU presenting the topic in front of other students (and me!). They did amazing and I could not have done better. I can’t wait to see what they’ll do in their PhD
https://t.co/lh0ZIkaujD
RT @pschwllr: @_lewtun In chemistry, some heads of Transformers learn how atoms rearrange during chemical reactions (without explicitly bei…
@_lewtun In chemistry, some heads of Transformers learn how atoms rearrange during chemical reactions (without explicitly being trained on this task, just MLM). From this atom-mapping signal, we can then extract the rules/grammar of chemical reactions (https://t.co/2QDNiXDQEW).
RT @SchwallerGroup: How cool is that - Philippe (@pschwllr) made the @EPFL_en front page with an award for his work on language models for…
RT @SchwallerGroup: How cool is that - Philippe (@pschwllr) made the @EPFL_en front page with an award for his work on language models for…
RT @SchwallerGroup: How cool is that - Philippe (@pschwllr) made the @EPFL_en front page with an award for his work on language models for…
How cool is that - Philippe (@pschwllr) made the @EPFL_en front page with an award for his work on language models for chemical reactions (https://t.co/Gdr8d6SCdt). Congrats on the #PrixSchläfli, one of Switzerland's oldest natural sciences awards! @SCNATChemistry https://t.co/Q3yzzp6TpQ https://t.co/9hVDnGQWeY
RT @SCNATChemistry: Congratulations to @pschwllr on winning the #PrixSchläfli 2022 in chemistry! https://t.co/Jw9r10Sx1r Excellent publicat…
Congratulations to @pschwllr on winning the #PrixSchläfli 2022 in chemistry! https://t.co/Jw9r10Sx1r Excellent publication: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions. Sci. Adv. 7, eabe4166 (2021). https://t.co/pKEoZQSeRF https://t.co/VaINs0sxxj
RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…
RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…
RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…
- RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragraphs (https://t.co/k022hOOnch) - Inference of experimental procedures (https://t.co/aDGEaTWWxt) - Noise removal (https://t.co/hqacZzM9LS) ...
RT @pschwllr: What a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Than…
RT @pschwllr: What a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Than…
RT @pschwllr: What a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Than…
RT @pschwllr: What a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Than…
What a great start of the week - RXNMapper (https://t.co/SyzvaZ6K5o) is featured in @nathanbenaich’s “Your guide to AI”! Thank you very much, Nathan! https://t.co/JFgtgqLlJa https://t.co/56VEuEeBrl
Extraction of organic #chemistry grammar from unsupervised learning of chemical reactions https://t.co/4nrDnFXo4n
RT @pschwllr: Some of my PhD work (including RXNMapper https://t.co/SyzvaZ6K5o) is featured in @philipcball’s latest column on “Learning th…
RT @pschwllr: Some of my PhD work (including RXNMapper https://t.co/SyzvaZ6K5o) is featured in @philipcball’s latest column on “Learning th…
RT @pschwllr: Some of my PhD work (including RXNMapper https://t.co/SyzvaZ6K5o) is featured in @philipcball’s latest column on “Learning th…
Some of my PhD work (including RXNMapper https://t.co/SyzvaZ6K5o) is featured in @philipcball’s latest column on “Learning the language of chemistry”! Thank you very much, Phil! Check it out in @ChemistryWorld ⬇️ https://t.co/8ELgK4U27l https://t.co/Y68zBHZYTR
https://t.co/3xeeJzpb4N Extraction of organic chemistry grammar from unsupervised learning of chemical reactions by Philippe Schwaller Benjamin Hoover (et al.) Hendrik Strobelt Teodoro Laino attention-guided mapping deep neural network transformers chemical synthesis
RT @Ale_Curioni: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
RT @Ale_Curioni: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
RT @Ale_Curioni: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
RT @Ale_Curioni: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/HhjmpSCx3C
RT @future_of_AI: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/a7ZH7bVziU via @gl…
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/a7ZH7bVziU via @glouppe
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/mQnhn77bDh via @glouppe
RT @EmekaOkoye: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/bm5xwT0rN1 #MachineLe…
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/bm5xwT0rN1 #MachineLearning #ml #NLP #chemistry #science
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/8Zgy9oToUq 教師なしで化学反応自体を学習.99.4% correct atom-mappings に成功. 物理法則を機械学習で学べる点がアツい.Unsupervised learning age is coming too close!!
RT @Deep_In_Depth: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/vEALmPJapa #DL #AI…
RT @Deep_In_Depth: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/vEALmPJapa #DL #AI…
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions | Science Advances @hyounpark https://t.co/6hGu8CYHjp
RT @Deep_In_Depth: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/vEALmPJapa #DL #AI…
RT @Deep_In_Depth: Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/vEALmPJapa #DL #AI…
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/vEALmPJapa #DL #AI #ML #DeepLearning #ArtificialIntelligence #MachineLearning #ComputerVision #AutonomousVehicles #NeuroMorphic #Robotics
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions https://t.co/binu2hkhEz
@uddupa @IBMResearch @teodorolaino @jrjrjlr @DCBunibern @unibern @reymondgroup 4/4 Chapter 8 - Extraction of organic chemistry grammar from unsupervised learning of chemical reactions: https://t.co/zFZIPRRO6O (preprint) / https://t.co/hvuJ98RuyS (demo)