(Q45944150)

http://europepmc.org/abstract/PMC/5658761

18 December 2017

title

Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models. (English)

1 reference

http://europepmc.org/abstract/PMC/5658761

18 December 2017

author

Bowen Liu

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Paul Wender

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

author name string

Bharath Ramsundar

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Prasad Kawthekar

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Jade Shi

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Joseph Gomes

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Quang Luu Nguyen

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Stephen Ho

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Jack Sloane

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Vijay Pande

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

publication date

5 September 2017

1 reference

http://europepmc.org/abstract/PMC/5658761

18 December 2017

published in

ACS Central Science

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

volume

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

issue

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

page(s)

1103-1113

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

Prediction of Organic Reaction Outcomes Using Machine Learning

7 June 2020

cites work

1 reference

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Modelling Chemical Reasoning to Predict and Invent Reactions

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Neural Networks for the Prediction of Organic Chemistry Reactions

24 May 2018

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Computer-Assisted Synthetic Planning: The End of the Beginning.

24 May 2018

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Function through synthesis-informed design

24 May 2018

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Discovering chemistry with an ab initio nanoreactor

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Toward the ideal synthesis and molecular function through synthesis-informed design

24 May 2018

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Automated discovery of chemically reasonable elementary reaction steps

24 May 2018

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InChI - the worldwide chemical structure identifier standard

24 May 2018

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Learning to predict chemical reactions

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No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms

24 May 2018

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24 May 2018

Long short-term memory

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

Ab Initio Reactive Computer Aided Molecular Design

24 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

Automated Discovery and Refinement of Reactive Molecular Dynamics Pathways

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

ReactionPredictor: prediction of complex chemical reactions at the mechanistic level using machine learning.

15 August 2018

1 reference

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Rewiring chemistry: algorithmic discovery and experimental validation of one-pot reactions in the network of organic chemistry.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5658761

Machine learning of chemical reactivity from databases of organic reactions.

15 August 2018

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15 August 2018

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Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction

15 August 2018

1 reference

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Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers

15 August 2018

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Computer-Assisted Design of Complex Organic Syntheses

1 December 2018

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12 December 2020

ROBIA: A Reaction Prediction Program

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12 December 2020

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

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28 May 2022

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Identifiers

DOI

10.1021/ACSCENTSCI.7B00303

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

1 reference

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29104927%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

1 reference