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PubChem3D: Biologically relevant 3-D similarity
scientific article
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instance of
scholarly article
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
title
PubChem3D: Biologically relevant 3-D similarity
(English)
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
main subject
PubChem
0 references
similarity
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chemical structure
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author
Sunghwan Kim
series ordinal
1
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
Evan E. Bolton
series ordinal
2
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
Stephen H. Bryant
series ordinal
3
object named as
Stephen H Bryant
0 references
publication date
22 July 2011
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
published in
Journal of Cheminformatics
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
volume
3
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
page(s)
26
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
issue
1
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
copyright license
Creative Commons Attribution 2.0 Generic
start time
22 July 2011
1 reference
stated in
April 2022 Public Data File from Crossref
copyright status
copyrighted
1 reference
stated in
April 2022 Public Data File from Crossref
exact match
https://scigraph.springernature.com/pub.10.1186/1758-2946-3-26
0 references
cites work
PubChem3D: Shape compatibility filtering using molecular shape quadrupoles
1 reference
stated in
PubMed Central
reference URL
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28 July 2018
PubChem3D: Similar conformers
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
PubChem3D: Diversity of shape
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models
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PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
retrieved
28 July 2018
PubChem3D: Conformer generation
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Molecular Shape and Medicinal Chemistry: A Perspective
1 reference
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PubMed Central
reference URL
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28 July 2018
An overview of the PubChem BioAssay resource
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PubMed Central
reference URL
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28 July 2018
Database resources of the National Center for Biotechnology Information
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PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
PubChem: a public information system for analyzing bioactivities of small molecules
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs
1 reference
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PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Combinatorial chemistry: oh what a decade or two can do.
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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High-throughput electrophysiology: an emerging paradigm for ion-channel screening and physiology
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
From combinatorial chemistry to cancer-targeting peptides
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PubMed Central
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28 July 2018
High-throughput screening assays for the identification of chemical probes
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PubMed Central
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28 July 2018
Comparison of topological, shape, and docking methods in virtual screening.
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PubMed Central
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28 July 2018
The interplay between structure-based design and combinatorial chemistry
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Statistical practice in high-throughput screening data analysis
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PubMed Central
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28 July 2018
Recent advances in combinatorial chemistry applied to development of anti-HIV drugs
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PubMed Central
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28 July 2018
Enzyme assays for high-throughput screening
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PubMed Central
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28 July 2018
Flow cytometry for high-throughput, high-content screening
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Electrospray ionization tandem mass spectrometry in high-throughput screening of homogeneous catalysts
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PubMed Central
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
Do structurally similar molecules have similar biological activity?
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
High-throughput screening: new technology for the 21st century
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PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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28 July 2018
High-throughput screening in drug metabolism and pharmacokinetic support of drug discovery
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PubMed Central
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28 July 2018
High-throughput and ultra-high-throughput screening: solution- and cell-based approaches
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PubMed Central
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28 July 2018
High-throughput RNAi screening in cultured cells: a user's guide.
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Crossref
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21 January 2018
Integration of virtual and high-throughput screening
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Crossref
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https://api.crossref.org/works/10.1186%2F1758-2946-3-26
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21 January 2018
A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
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Crossref
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https://api.crossref.org/works/10.1186%2F1758-2946-3-26
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21 January 2018
On Outliers and Activity Cliffs - Why QSAR Often Disappoints
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Crossref
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https://api.crossref.org/works/10.1186%2F1758-2946-3-26
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21 January 2018
Design of multitarget activity landscapes that capture hierarchical activity cliff distributions
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Crossref
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21 January 2018
Chemical substitutions that introduce activity cliffs across different compound classes and biological targets
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Crossref
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21 January 2018
Dynamic Combinatorial Chemistry
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Crossref
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21 January 2018
The synergy between combinatorial chemistry and high-throughput screening.
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PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3223603
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29 October 2018
Similarity methods in chemoinformatics
1 reference
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COCI
reference URL
https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-26
retrieved
2 January 2022
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
1 reference
stated in
COCI
reference URL
https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-26
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2 January 2022
PubChem: Integrated Platform of Small Molecules and Biological Activities
1 reference
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COCI
reference URL
https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-26
retrieved
2 January 2022
Identifiers
DOI
10.1186/1758-2946-3-26
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
DBLP publication ID
journals/jcheminf/KimBB11a
1 reference
stated in
DBLP Dataset 2021-01-02
retrieved
28 January 2021
Dimensions Publication ID
1043633625
1 reference
stated in
SciGraph
reference URL
https://scigraph.springernature.com/pub.10.1186/1758-2946-3-26
retrieved
9 September 2019
PMCID
3223603
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
PubMed ID
21781288
1 reference
stated in
Q5412157
PubMed ID
21781288
retrieved
30 July 2017
ResearchGate publication ID
51513639
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