PubChem Substance and Compound databases (Q27942588)

14

0 references

Sunghwan Kim

1

0 references

author name string

Paul A Thiessen

2

0 references

Jie Chen

4

0 references

Gang Fu

5

0 references

Asta Gindulyte

6

0 references

Lianyi Han

7

0 references

Jane He

8

0 references

Siqian He

9

0 references

Benjamin A Shoemaker

10

0 references

Jiyao Wang

11

0 references

Bo Yu

12

0 references

Jian Zhang

PubChemRDF: towards the semantic annotation of PubChem compound and substance databases

13

0 references

language of work or name

English

0 references

publication date

4 January 2016

0 references

published in

Nucleic Acids Research

0 references

volume

44

0 references

page(s)

D1202-13

0 references

issue

D1

0 references

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

The ChEMBL database as linked open data

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem structure–activity relationship (SAR) clusters

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

InChI, the IUPAC International Chemical Identifier

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

The EBI RDF platform: linked open data for the life sciences

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

The ChEMBL bioactivity database: an update

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

DrugBank 4.0: shedding new light on drug metabolism

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

InChI - the worldwide chemical structure identifier standard

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: Conformer generation

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

The PubChem chemical structure sketcher

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

An overview of the PubChem BioAssay resource

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

The National Library of Medicine's (NLM) Hazardous Substances Data Bank (HSDB): background, recent enhancements and future plans

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem BioAssay: 2014 update

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: conformer ensemble accuracy

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem's BioAssay Database

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

Protein Data Bank Japan (PDBj): maintaining a structural data archive and resource description framework format

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: a new resource for scientists

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: Biologically relevant 3-D similarity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: Similar conformers

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

PubChem3D: Diversity of shape

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

Entrez: molecular biology database and retrieval system

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

Comparison of Shape-Matching and Docking as Virtual Screening Tools

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4702940

Analysis and display of the size dependence of chemical similarity coefficients

27 November 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Linking up with entrez

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

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

SMILES. 3. DEPICT. Graphical depiction of chemical structures

11 September 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00067A005

The Spectral Game: leveraging Open Data and crowdsourcing for education

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-1-9

Computational mass spectrometry for small molecules

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-5-12

Introducing Wikidata to the Linked Data Web

2 January 2022

1 reference

29 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1007/978-3-319-11964-9_4

Identifiers

DOI

10.1093/NAR/GKV951

1 reference

journals/nar/KimTBCFGHHHSWYZ16

557474

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

557474

1 reference

1 reference

1 reference