Nat Commun May 2021 PMID 33958589

Inferring experimental procedures from text-based representations of chemical reactions.

Alain C Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H Nair, Anna Iuliano, Teodoro Laino

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Peak: 51 in May 2021

across 5 sources since Oct 2020

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Several discussions highlight the research's innovative approach to automating chemical synthesis, referencing key components like RXN fingerprints and atom-mapping methods. The enthusiastic tone in phrases like 'This is it!' and 'core of #RoboRXN' conveys excitement about the potential for practical applications, while the mention of 'automatically predict synthesis operations' suggests deep engagement with the content and its implications.

AgreementModerate agreement

Many discussions generally express positive sentiments about the publication's methodology and findings.

InterestHigh interest

The posts demonstrate high levels of curiosity regarding the implications of the study for chemical research.

EngagementModerate engagement

A number of contributors connect specific terms and concepts to the study, indicating some level of conversation depth.

ImpactHigh impact

Participants perceive the research as potentially influential in the field of chemistry and automation.

Abstract in brief

The process of conducting chemical reactions is complex and relies heavily on years of lab experience or existing protocols.
Data-driven approaches like retrosynthetic models are useful but still require expert intervention to translate proposed methods into actual procedures.
This study introduces models that predict synthesis steps from chemical equations, utilizing a dataset of over 690,000 equations to achieve over 50% accuracy in producing executable procedures without human input.

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Simone Gallarati

@GallaratiSimone · X

RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…

Aug 31, 2021 · 3 shares · 355 followers View post →

Matteo Manica

@drugilsberg · X

RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…

Aug 31, 2021 · 3 shares · 1,056 followers View post →

Philippe Schwaller (he/him)

@pschwllr · X

RT @teodorolaino: - RXN fingerprints (https://t.co/4OxGGSaoqZ) - Atom-mapping (https://t.co/Jtw8olp5MU) - Extraction of actions from paragr…

Aug 31, 2021 · 3 shares · 5,281 followers View post →

Teodoro Laino

@teodorolaino · X

Aug 31, 2021 · 11 likes · 3 shares · 1,917 followers View post →

terry marshall

@tmmmarshall · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 23, 2021 · 20 shares · 1,809 followers View post →

OSCity

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RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 17, 2021 · 20 shares · 840 followers View post →

Better tech

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RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

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IBM Research

@IBMResearch · X

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Frag Mich

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Gerard JP van Westen

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Jannis Born

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Andrew S. Rosen

@Andrew_S_Rosen · X

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Diego Francisco Valenzuela Iturra

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Sebastian Mz ⚽️

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Discovery Hub

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May 14, 2021 · 20 shares · 172 followers View post →

Marwin Segler

@marwinsegler · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

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Fahad T ALGorain, PhD

@FahadGorain · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

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Philip Vollet

@philipvollet · X

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Federico Zipoli

@FedericoZipoli · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 14, 2021 · 20 shares · 105 followers View post →

Matteo Manica

@drugilsberg · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 14, 2021 · 20 shares · 1,056 followers View post →

Teodoro Laino

@teodorolaino · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 14, 2021 · 20 shares · 1,917 followers View post →

RXN for Chemistry

@ForRxn · X

RT @acvaucher: In this blog post, I present in general terms our latest @NatureComms paper (https://t.co/gFN0O2i5h7). It shows how to autom…

May 14, 2021 · 20 shares · 949 followers View post →

Alain Vaucher

@acvaucher · X

May 14, 2021 · 88 likes · 20 shares · 961 followers View post →

Hamid Eghbalzadeh

@heghbalz · X

RT @acvaucher: This is it! The core of #RoboRXN

May 9, 2021 · 22 shares · 2,640 followers View post →

Cody P

@crisprbby · X

RT @acvaucher: This is it! The core of #RoboRXN

May 8, 2021 · 22 shares · 329 followers View post →

Prediksi Pertanyaan Sidang Skripsi, 10K Aja

@SoalSidang · X

RT @doctick: #NLP "Inferring experimental procedures from text-based representations of chemical reactions" https://t.co/jSZSTwOnBp

May 7, 2021 · 1 share · 3,807 followers View post →

doctick

@doctick · X

#NLP "Inferring experimental procedures from text-based representations of chemical reactions" https://t.co/jSZSTwOnBp

May 7, 2021 · 1 share · 304 followers View post →

Frag Mich

@schla_wiener · X

RT @acvaucher: This is it! The core of #RoboRXN

May 7, 2021 · 22 shares · 26 followers View post →

Khaled Abdel-Maksoud

@Tench_KAMak · X

RT @acvaucher: This is it! The core of #RoboRXN

May 7, 2021 · 22 shares · 454 followers View post →

Wonho Zhung

@one_know_wonho · X

RT @acvaucher: This is it! The core of #RoboRXN

May 7, 2021 · 22 shares · 60 followers View post →

叢雲くすり (創薬ちゃん)

@souyakuchan · X

RT @acvaucher: This is it! The core of #RoboRXN

May 7, 2021 · 22 shares · 10,243 followers View post →

energsoft

@energsoft · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 1,109 followers View post →

Changge Ji

@chemphy123 · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 75 followers View post →

Diego Francisco Valenzuela Iturra

@diegovogeid · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 173 followers View post →

Daniel Probst @skepteis@skepteis.social

@skepteis · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 10,649 followers View post →

Joshua Box

@DrJoshuaBox · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 699 followers View post →

Thomas Ellington

@tlelling · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 214 followers View post →

Teodoro Laino

@teodorolaino · X

RT @ChemistryNews: Inferring experimental procedures from text-based representations of chemical reactions https://t.co/as3qqn8Ep6

May 6, 2021 · 3 shares · 1,917 followers View post →

RXN for Chemistry

@ForRxn · X

RT @ChemistryNews: Inferring experimental procedures from text-based representations of chemical reactions https://t.co/as3qqn8Ep6

May 6, 2021 · 3 shares · 949 followers View post →

김재욱,Jaewook Kim

@tigger1o · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 266 followers View post →

Philippe Schwaller (he/him)

@pschwllr · X

RT @ChemistryNews: Inferring experimental procedures from text-based representations of chemical reactions https://t.co/as3qqn8Ep6

May 6, 2021 · 3 shares · 5,281 followers View post →

Daniel of the Shire

@countrsignal · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 759 followers View post →

Supply Chain Social Network

@SupplyChainSN · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 1,948 followers View post →

Chris Sciacca

@chrispsciacca · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 6,567 followers View post →

Philip Vollet

@philipvollet · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 30,863 followers View post →

Matteo Manica

@drugilsberg · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 1,056 followers View post →

Federico Zipoli

@FedericoZipoli · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 105 followers View post →

Amol Thakkar

@av_thakkar · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 586 followers View post →

RXN for Chemistry

@ForRxn · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 949 followers View post →

Teodoro Laino

@teodorolaino · X

RT @acvaucher: This is it! The core of #RoboRXN

May 6, 2021 · 22 shares · 1,917 followers View post →

Alain Vaucher

@acvaucher · X

This is it! The core of #RoboRXN

May 6, 2021 · 93 likes · 22 shares · 961 followers View post →

もか

@mt03kkk18wu · X

Inferring experimental procedures from text-based representations of chemical reactions | Nature Communications https://t.co/vBX6QU3GK7

May 6, 2021 · 1,429 followers View post →

Chemistry News

@ChemistryNews · X

Inferring experimental procedures from text-based representations of chemical reactions https://t.co/as3qqn8Ep6

May 6, 2021 · 10 likes · 3 shares · 517,875 followers View post →

Matteo Manica

@drugilsberg · X

RT @janhjensen: Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions https://t.co/59bmQpzisX #compchem

Oct 22, 2020 · 2 shares · 1,056 followers View post →

Matteo Manica

@drugilsberg · X

RT @ChemRxiv: Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions by Teodoro Laino & co-workers https:…

Oct 22, 2020 · 1 share · 1,056 followers View post →

CompChemBio Bot

@CompChemBioBot · X

RT @janhjensen: Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions https://t.co/59bmQpzisX #compchem

Oct 22, 2020 · 2 shares · 2,761 followers View post →

Jan Jensen (janhjensen.bsky.social)

@janhjensen · X

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions https://t.co/59bmQpzisX #compchem

Oct 22, 2020 · 7 likes · 2 shares · 9,046 followers View post →

ChemRxiv

@ChemRxiv · X

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions by Teodoro Laino & co-workers https://t.co/nd7TSTkBz9 https://t.co/wWxkfzpiAF

Oct 21, 2020 · 7 likes · 1 share · 32,258 followers View post →

Inferring experimental procedures from text-based representations of chemical reactions.

Mentions per month

Where it's discussed

What people are saying

Abstract in brief

Top posts

All mentions

RXN for Chemistry: Predicting Chemical Reactions Using AI

Advancing Chemical Synthesis with AI-Based Transformers