(Q51095881)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

title

Planning chemical syntheses with deep neural networks and symbolic AI (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

0 references

0 references

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

author name string

Marwin H S Segler

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Mark P Waller

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

language of work or name

English

0 references

publication date

1 March 2018

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

volume

555

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

issue

7698

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

page(s)

604-610

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1038/nature25978

21 March 2020

exact match

0 references

cites work

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

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LXIII.—A synthesis of tropinone

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A robustness screen for the rapid assessment of chemical reactions

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7 January 2021

Organic synthesis: march of the machines

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7 January 2021

De Novo Design at the Edge of Chaos

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7 January 2021

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks.

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7 January 2021

Computer-aided organic synthesis

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7 January 2021

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

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7 January 2021

Learning to predict chemical reactions

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7 January 2021

Route Designer: a retrosynthetic analysis tool utilizing automated retrosynthetic rule generation.

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7 January 2021

Mining electronic laboratory notebooks: analysis, retrosynthesis, and reaction based enumeration

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7 January 2021

Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction.

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7 January 2021

Structure and reaction based evaluation of synthetic accessibility

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7 January 2021

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

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7 January 2021

Bandit Based Monte-Carlo Planning

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https://api.crossref.org/works/10.1038%2FNATURE25978

7 January 2021

A Survey of Monte Carlo Tree Search Methods

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7 January 2021

Mastering the game of Go with deep neural networks and tree search

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7 January 2021

Time-split cross-validation as a method for estimating the goodness of prospective prediction

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7 January 2021

Expert system for predicting reaction conditions: the Michael reaction case.

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7 January 2021

Modelling Chemical Reasoning to Predict and Invent Reactions

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7 January 2021

Prediction of Organic Reaction Outcomes Using Machine Learning

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7 January 2021

Dead Ends and Detours En Route to Total Syntheses of the 1990s A list of abbreviations can be found at the end of the article

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7 January 2021

Computing organic stereoselectivity - from concepts to quantitative calculations and predictions

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7 January 2021

Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis

1 reference

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7 January 2021

Dehydrogenative TEMPO-Mediated Formation of Unstable Nitrones: Easy Access to N-Carbamoyl Isoxazolines

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7 January 2021

Generic strategies for chemical space exploration

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7 January 2021

The enumeration of chemical space

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7 January 2021

Mastering Atari, Go, chess and shogi by planning with a learned model

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7 January 2021

Corrections to “Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity”

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7 January 2021

Computer-Assisted Retrosynthesis Based on Molecular Similarity.

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7 January 2021

Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models.

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7 January 2021

Extended-connectivity fingerprints

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7 January 2021

Neural Networks for the Prediction of Organic Chemistry Reactions

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7 January 2021

The ROBIA program for predicting organic reactivity.

1 reference

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7 January 2021

Knowledge-based approach to de novo design using reaction vectors

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7 January 2021

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

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7 January 2021

Structure-reactivity modeling using mixture-based representation of chemical reactions.

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7 January 2021

Machine learning of chemical reactivity from databases of organic reactions.

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7 January 2021

The ORCA program system

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7 January 2021

Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

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7 January 2021

Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320

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7 January 2021

Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29595767

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1038/NATURE25978

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29595767%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

0 references

1 reference

journals/nature/SeglerPW18

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1101795547

0 references

Fatcat ID

release_yb6scvw5ffanfl446ho3nrbcoi

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/yb6scvw5ffanfl446ho3nrbcoi

24 November 2022

mapped directly with Wikidata item

1 reference