(Q31172453)

21 August 2017

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data (English)

1 reference

21 August 2017

1 reference

1 reference

2

Jean-Louis Reymond

0 references

Mahendra Awale

series ordinal

1

object named as

Mahendra Awale

1 reference

21 August 2017

21 February 2017

1 reference

Journal of Cheminformatics

21 August 2017

1 reference

21 August 2017

9

1 reference

21 August 2017

11

1 reference

Creative Commons Attribution 4.0 International

21 August 2017

start time

21 February 2017

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Improving chemical similarity ensemble approach in target prediction

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

ChemProt-3.0: a global chemical biology diseases mapping

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

In silico methods to address polypharmacology: current status, applications and future perspectives

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

A multi-label approach to target prediction taking ligand promiscuity into account

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

The Chemical Space Project

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Tools for in silico target fishing

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Polypharmacology: challenges and opportunities in drug discovery

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

SuperPred: update on drug classification and target prediction

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

A multi-fingerprint browser for the ZINC database

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

JSME: a free molecule editor in JavaScript

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Visualization and virtual screening of the chemical universe database GDB-17.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Virtual affinity fingerprints for target fishing: a new application of Drug Profile Matching

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

ZINC: a free tool to discover chemistry for biology

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Discovery of α7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

ChEMBL: a large-scale bioactivity database for drug discovery

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

From in silico target prediction to multi-target drug design: current databases, methods and applications

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical-protein interactome

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Extended-connectivity fingerprints

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Target fishing for chemical compounds using target-ligand activity data and ranking based methods

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Relating protein pharmacology by ligand chemistry

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

Benchmarking sets for molecular docking

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

How many drug targets are there?

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

TarFisDock: a web server for identifying drug targets with docking approach

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5319934

DrugBank: a comprehensive resource for in silico drug discovery and exploration

28 July 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

PASS: prediction of activity spectra for biologically active substances

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Exploring polypharmacology using a ROCS-based target fishing approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Predicting the protein targets for athletic performance-enhancing substances.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

HitPick: a web server for hit identification and target prediction of chemical screenings

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Putting together the pieces: building a reaction-centric electronic lab notebook for mobile devices

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Accurate and efficient target prediction using a potency-sensitive influence-relevance voter

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Predicting Molecular Targets for Small-Molecule Drugs with a Ligand-Based Interaction Fingerprint Approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

PubChem3D: conformer ensemble accuracy

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-017-0199-X

Classification of organic molecules by molecular quantum numbers

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28270862

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1186/S13321-017-0199-X

1 reference

journals/jcheminf/AwaleR17

21 August 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-017-0199-x

Fatcat ID

release_ystfi5b4a5cezczi2ofggrwum4

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ystfi5b4a5cezczi2ofggrwum4

mapped directly with Wikidata item

24 November 2022

based on heuristic

PMC publication ID

5319934

1 reference

PMC publication ID

5319934

21 August 2017

PubMed publication ID

28270862

1 reference

PMC publication ID

5319934