A generalizable definition of chemical similarity for read-across (Q27902351)

Giuseppe Felice Mangiatordi

1

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object named as

Giuseppe Felice Mangiatordi

5

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Emilio Benfenati

6

object named as

Emilio Benfenati

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author name string

Alberto Manganaro

2

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Ricardo Medda

Journal of Cheminformatics

4

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publication date

December 2014

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published in

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Creative Commons Attribution 4.0 International

Crossref

volume

6

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issue

1

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page(s)

39

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copyright license

start time

18 October 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

1 reference

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20 March 2017

1 reference

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

20 March 2017

1 reference

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20 March 2017

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29 September 2017

1 reference

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Chemical substructures that enrich for biological activity

29 September 2017

1 reference

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29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

Reoptimization of MDL keys for use in drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

Improving quantitative structure-activity relationships through multiobjective optimization

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

Comparison of nonbinary similarity coefficients for similarity searching, clustering and compound selection

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4212147

Comparison of Similarity Coefficients for Clustering and Compound Selection

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25383097

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Approaches to Measure Chemical Similarity– a Review

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0039-1

10.1186/S13321-014-0039-1

2 January 2022

Identifiers

DOI

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DBLP publication ID

journals/jcheminf/FlorisMNMMB14

1 reference

DBLP Dataset 2021-01-02