ChemMine tools: an online service for analyzing and clustering small molecules (Q28530229)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21576229%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

title

ChemMine tools: an online service for analyzing and clustering small molecules (English)

1 reference

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1 February 2020

1 reference

1

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1 February 2020

3

Thomas Girke

1 reference

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1 February 2020

author name string

Yiqun Cao

series ordinal

2

1 reference

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language of work or name

English

0 references

publication date

16 May 2011

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1 February 2020

published in

Nucleic Acids Research

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1 February 2020

volume

39

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1 February 2020

page(s)

W486-91

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1 February 2020

issue

Web Server issue

1 reference

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Creative Commons Attribution-NonCommercial 3.0 Unported

1 February 2020

copyright license

start time

14 November 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

PubChem as a public resource for drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Molecular structure input on the web

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Small Molecule Subgraph Detector (SMSD) toolkit

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

STITCH: interaction networks of chemicals and proteins

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

DrugBank: a knowledgebase for drugs, drug actions and drug targets

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

ChEBI: a database and ontology for chemical entities of biological interest

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

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

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

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

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

The Blue Obelisk-interoperability in chemical informatics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

From genomics to chemical genomics: new developments in KEGG

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Virtual Computational Chemistry Laboratory – Design and Description

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

ZINC--a free database of commercially available compounds for virtual screening

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

From Knowing to Controlling: A Path from Genomics to Drugs Using Small Molecule Probes

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Chembench: a cheminformatics workbench

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Chemical Descriptors Library (CDL): a generic, open source software library for chemical informatics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

ChemmineR: a compound mining framework for R.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

A maximum common substructure-based algorithm for searching and predicting drug-like compounds

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

ChemBank: a small-molecule screening and cheminformatics resource 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=3125754

29 September 2017

Systems chemical biology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Strategies for compound selection

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

The principle of complementarity: chemical versus biological space

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

NIH Molecular Libraries Initiative

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA).

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Maximum common subgraph isomorphism algorithms for the matching of chemical structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

Enhanced CACTVS browser of the Open NCI 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=3125754

Comparison of the NCI open database with seven large chemical structural databases.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

ChemMine. A compound mining database for chemical genomics.

2 June 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKR320

ChemDB update--full-text search and virtual chemical space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKR320

SuperDrug: a conformational drug database

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKR320

Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKR320

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKR320

Heuristics for chemical compound matching.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3125754

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

Molecular medicine. NIH dives into drug discovery

1 reference

12 December 2020

Chemical space and biology

1 reference

12 December 2020

Identifiers

DOI

10.1093/NAR/GKR320

2 references

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1 February 2020

DBLP publication ID

journals/nar/BackmanCG11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21576229%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

2 references