In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an approach to extract, in an automated manner, the synthesis steps from the experimental procedures of millions of published reactions. https://t.co/jW7FOraqMQ
Automated extraction of chemical synthesis actions from experimental procedures.
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Dec 2019 – Sep 2022Where it's discussed
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X / Twitter29 posts
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Blogs5 articles
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News3 articles
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YouTube2 videos
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AI synopsis
What people are saying
Several discussions highlight key aspects of the article, such as mentions of automatically extracting synthesis steps from experimental procedures and the use of advanced methods like deep learning models. The tone varies from technical curiosity—'I gave it a try'—to general recognition, like 'congrats,' reflecting a mix of interest and appreciation for its significance. The choice of words such as 'automated' and 'new collection' emphasizes the relevance and innovative nature of the research, whereas technical phrases indicate deeper engagement.
Most discussions acknowledge the significance of the research, with comments like 'Congrats!' and references to its novelty, indicating general support and recognition of its potential.
The discussions reveal high curiosity, especially with posts mentioning attempts to try the method and references to automation and machine learning implications, showing enthusiasm and relevance.
Users engage by discussing technical aspects such as 'RXN fingerprints,' 'atom-mapping,' and comments about applying the method to real sentences, demonstrating a reasonable depth of technical engagement.
Though many posts highlight the publication's importance and potential, few suggest transformative change or high-impact consequences, leading to a moderate impact score.
Abstract in brief
- The study presents a method to automatically convert unstructured chemical synthesis instructions written in English into a structured format of step-by-step actions, making it easier to reproduce experiments.
- The approach uses a deep learning model called a transformer, trained on large datasets generated automatically and refined with human annotations, to accurately translate text into these chemical action sequences.
- The results are impressive, with the model perfectly matching the actions in 60.8% of sentences, and achieving high accuracy (90% and 75%) on a majority of the test sentences, indicating it's quite effective at understanding and organizing chemical procedures.]
Top posts
Most liked on X and Bluesky@leecronin @JGBrandenburg @CroninLab Congrats! I just gave it a try with a simple sentence
Automated Extraction of Chemical Synthesis Actions from Experimental Procedures by Teodoro Laino & co-workers https://t.co/iZ7F47avVw https://t.co/nmC3wFSPTl
- 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) ...
Automated Extraction of Chemical Synthesis Actions from Experimental Procedures https://t.co/HTGoIhKgxL via @figshare
@leecronin @JGBrandenburg @CroninLab @JakeYeston "Manual chemistry" relates to the work done by Robots: no discussions. My comment is more focused on the effectiveness of the current NLP layer. I wonder what would happen if you start from something like: https://t.co/k022hOOnch to build the XDL. https://t.co/mkMIhNVJ1c
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…
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) ...
@acvaucher et al, Automated extraction of chemical synthesis actions from experimental procedures https://t.co/qo0RgekCZh
RT @teodorolaino: @leecronin @JGBrandenburg @CroninLab Congrats! I just gave it a try with a simple sentence
RT @teodorolaino: @leecronin @JGBrandenburg @CroninLab @JakeYeston "Manual chemistry" relates to the work done by Robots: no discussions. M…
@leecronin @JGBrandenburg @CroninLab @JakeYeston "Manual chemistry" relates to the work done by Robots: no discussions. My comment is more focused on the effectiveness of the current NLP layer. I wonder what would happen if you start from something like: https://t.co/k022hOOnch to build the XDL. https://t.co/mkMIhNVJ1c
RT @teodorolaino: @leecronin @JGBrandenburg @CroninLab Congrats! I just gave it a try with a simple sentence
@leecronin @JGBrandenburg @CroninLab Congrats! I just gave it a try with a simple sentence
Automated extraction of chemical synthesis actions from experimental procedures: https://t.co/7bbZLRPmiH Featured in our new collection of research highlights on machine learning in computational chemistry.
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
RT @acvaucher: In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an appr…
In this blog post, I present, in general terms, an article that we recently published in @NatureComms. It introduces an approach to extract, in an automated manner, the synthesis steps from the experimental procedures of millions of published reactions. https://t.co/jW7FOraqMQ
RT @doctick: #NLP "Automated extraction of chemical synthesis actions from experimental procedures." https://t.co/UBaGfWi1Fl
#NLP "Automated extraction of chemical synthesis actions from experimental procedures." https://t.co/UBaGfWi1Fl
RT @ChemRxiv: Automated Extraction of Chemical Synthesis Actions from Experimental Procedures by Teodoro Laino & co-workers https://t.co/i…
RT @macinchem: Automated Extraction of Chemical Synthesis Actions from Experimental Procedures https://t.co/HTGoIhKgxL via @figshare
RT @macinchem: Automated Extraction of Chemical Synthesis Actions from Experimental Procedures https://t.co/HTGoIhKgxL via @figshare
Automated Extraction of Chemical Synthesis Actions from Experimental Procedures https://t.co/HTGoIhKgxL via @figshare
RT @ChemRxiv: Automated Extraction of Chemical Synthesis Actions from Experimental Procedures by Teodoro Laino & co-workers https://t.co/i…
Automated Extraction of Chemical Synthesis Actions from Experimental Procedures by Teodoro Laino & co-workers https://t.co/iZ7F47avVw https://t.co/nmC3wFSPTl