PubChem3D: Similar conformers (Q33893330)

29 July 2017

title

PubChem3D: Similar conformers (English)

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29 July 2017

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Stephen H Bryant

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publication date

9 May 2011

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Journal of Cheminformatics

29 July 2017

published in

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29 July 2017

volume

3

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29 July 2017

page(s)

13

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Creative Commons Attribution 2.0 Generic

29 July 2017

copyright license

start time

9 May 2011

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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April 2022 Public Data File from Crossref

cites work

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1 reference

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28 July 2018

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28 July 2018

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Molecular Shape and Medicinal Chemistry: A Perspective

28 July 2018

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28 July 2018

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28 July 2018

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PubChem: a public information system for analyzing bioactivities of small molecules

28 July 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3120778

Application of belief theory to similarity data fusion for use in analog searching and lead hopping

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3120778

Fast 3D shape screening of large chemical databases through alignment-recycling

28 July 2018

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28 July 2018

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28 July 2018

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Three-dimensional hydrogen-bond geometry and probability information from a crystal survey

28 July 2018

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28 July 2018

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Inhibition of prostaglandin activity and synthesis by fenbufen (a new nonsteroidal antiinflammatory agent) and one of its metabolites

28 July 2018

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The pharmacology of benoxaprofen (2-[4-chlorophenyl]-α-methyl-5-benzoxazole acetic acid), LRCL 3794, a new compound with anti-inflammatory activity apparently unrelated to inhibition of prostaglandin synthesis

28 July 2018

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PAPER--accelerating parallel evaluations of ROCS.

28 July 2018

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A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

29 October 2018

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29 October 2018

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Analysis and display of the size dependence of chemical similarity coefficients

29 October 2018

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12 December 2020

based on heuristic

Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients

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PubMed

https://pubmed.ncbi.nlm.nih.gov/21554721

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21554721

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

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COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-13

A Gaussian Description of Molecular Shape

2 January 2022

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COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-13

van der Waals Volumes and Radii

2 January 2022

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COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-13

2 January 2022

Identifiers

DOI

10.1186/1758-2946-3-13

1 reference

journals/jcheminf/BoltonKB11b

29 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

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29 July 2017

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