(Q47133184)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

title

Computer-Assisted Retrosynthesis Based on Molecular Similarity (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

William H. Green

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

Klavs F. Jensen

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

author name string

Luke Rogers

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

publication date

16 November 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

volume

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

issue

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

page(s)

1237-1245

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

Prediction of Organic Reaction Outcomes Using Machine Learning

8 April 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

What's What: The (Nearly) Definitive Guide to Reaction Role Assignment

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Modelling Chemical Reasoning to Predict and Invent Reactions

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Neural Networks for the Prediction of Organic Chemistry Reactions

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Molecular graph convolutions: moving beyond fingerprints.

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic Feasibility

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

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

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Molecular fingerprint similarity search in virtual screening

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Modeling a crowdsourced definition of molecular complexity.

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Open-source platform to benchmark fingerprints for ligand-based virtual screening

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

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

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Extended-connectivity fingerprints

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Lossless compression of chemical fingerprints using integer entropy codes improves storage and retrieval

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Computer-aided organic synthesis

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Information theory, atoms in molecules, and molecular similarity

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Amino-substituted thalidomide analogs: potent inhibitors of TNF-alpha production

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Genetic optimization of combinatorial libraries

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Computer-assisted analysis in organic synthesis

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

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

23 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Convolutional Embedding of Attributed Molecular Graphs for Physical Property 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=5746854

Molecular Complexity and Retrosynthesis.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

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=5746854

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

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Feature trees: a new molecular similarity measure based on tree matching.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5746854

Organic chemistry as a language and the implications of chemical linguistics for structural and retrosynthetic analyses

15 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29296663

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The Making of Reaxys—Towards Unobstructed Access to Relevant Chemistry Information

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/BK-2014-1164.CH008

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

14 May 2022

1 reference

28 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

Identifiers

DOI

10.1021/ACSCENTSCI.7B00355

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

release_sdaqzkois5apneuwlfis2a4igu

8 April 2020

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/sdaqzkois5apneuwlfis2a4igu

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29296663%20AND%20SRC:MED&resulttype=core&format=json

8 April 2020

1 reference