The ChEMBL database in 2017 (Q28584450)

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28 March 2020

title

The ChEMBL database in 2017 (English)

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

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28 March 2020

María Paula Magariños

1 reference

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28 March 2020

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28 March 2020

Michał Nowotka

1 reference

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28 March 2020

A Patrícia Bento

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28 March 2020

Jon Chambers

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28 March 2020

David Mendez

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28 March 2020

Mark Davies

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28 March 2020

Anneli Karlsson

1 reference

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28 March 2020

Ines Smit

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28 March 2020

language of work or name

English

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publication date

28 November 2016

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28 March 2020

published in

Nucleic Acids Research

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28 March 2020

volume

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28 March 2020

issue

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28 March 2020

page(s)

D945-D954

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Creative Commons Attribution 4.0 International

28 March 2020

start time

29 November 2016

1 reference

April 2022 Public Data File from Crossref

copyrighted

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describes a project that uses

Jupyter notebook file

1 reference

PubChem BioAssay: 2017 update

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Activity, assay and target data curation and quality in the ChEMBL database

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

A large-scale crop protection bioassay data set

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

ChEMBL web services: streamlining access to drug discovery data and utilities

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

CLO: The cell line ontology

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Evolving BioAssay Ontology (BAO): modularization, integration and applications

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

myChEMBL: a virtual machine implementation of open data and cheminformatics tools

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The ChEMBL bioactivity database: an update

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The open access malaria box: a drug discovery catalyst for neglected diseases

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The Units Ontology: a tool for integrating units of measurement in science

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Open PHACTS: semantic interoperability for drug discovery

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Uberon, an integrative multi-species anatomy ontology

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Open Babel: An open chemical toolbox

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

ChEMBL: a large-scale bioactivity database for drug discovery

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Market withdrawal of new molecular entities approved in the United States from 1980 to 2009

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Thousands of chemical starting points for antimalarial lead identification

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Modeling sample variables with an Experimental Factor Ontology

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

A kernel for open source drug discovery in tropical diseases

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Can the pharmaceutical industry reduce attrition rates?

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Pharos: Collating protein information to shed light on the druggable genome

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Open Targets: a platform for therapeutic target identification and validation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

canSAR: an updated cancer research and drug discovery knowledgebase

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

SureChEMBL: a large-scale, chemically annotated patent document 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=5210557

WITHDRAWN--a resource for withdrawn and discontinued drugs

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The Transporter Classification Database (TCDB): recent advances

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

An analysis of the attrition of drug candidates from four major pharmaceutical companies

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Metadata Standard and Data Exchange Specifications to Describe, Model, and Integrate Complex and Diverse High-Throughput Screening Data from the Library of Integrated Network-based Cellular Signatures (LINCS).

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Clinical development success rates for investigational drugs

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

ChromoHub V2: cancer genomics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

How to access and process FDA drug approval packages for use in research

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Modern Phenotypic Drug Discovery Is a Viable, Neoclassic Pharma Strategy

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Drugs for Neglected Diseases initiative model of drug development for neglected diseases: current status and future challenges

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

BioAssay Ontology (BAO): a semantic description of bioassays and high-throughput screening results

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

The BRENDA Tissue Ontology (BTO): the first all-integrating ontology of all organisms for enzyme sources

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Optical structure recognition software to recover chemical information: OSRA, an open source solution

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Lessons learnt from assembling screening libraries for drug discovery for neglected diseases

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Self-organizing maps for identification of new inhibitors of P-glycoprotein

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Identification and evaluation of molecular properties related to preclinical optimization and clinical fate

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

An empirical process for the design of high-throughput screening deck filters.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

A comprehensive listing of bioactivation pathways of organic functional groups

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5210557

Trial watch: phase II and phase III attrition rates 2011-2012.

29 September 2017

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW1074

BeCAS: biomedical concept recognition services and visualization

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW1074

Cytochrome P450 and Non-Cytochrome P450 Oxidative Metabolism: Contributions to the Pharmacokinetics, Safety, and Efficacy of Xenobiotics

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW1074

Strategic Pooling of Compounds for High-Throughput Screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW1074

MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW1074

Can the flow of medicines be improved? Fundamental pharmacokinetic and pharmacological principles toward improving Phase II survival

21 January 2018

1 reference

12 December 2020

Getting pharmaceutical R&D back on target

1 reference

12 December 2020

Drug safety discontinuations in the United Kingdom, the United States, and Spain from 1974 through 1993: a regulatory perspective

1 reference

12 December 2020

Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research

1 reference

12 December 2020

Evaluation of the Characteristics of Safety Withdrawal of Prescription Drugs from Worldwide Pharmaceutical Markets-1960 to 1999

1 reference

21 June 2022

https://opencitations.net/index/coci/api/v1/references/10.1093/NAR/GKW1074

Identifiers

DOI

10.1093/NAR/GKW1074

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27899562%20AND%20SRC:MED&resulttype=core&format=json

journals/nar/GaultonHNBCMMAB17

28 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27899562%20AND%20SRC:MED&resulttype=core&format=json

28 March 2020

PubMed publication ID

27899562

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27899562%20AND%20SRC:MED&resulttype=core&format=json