(Q38256258)

1 September 2017

title

Tools for in silico target fishing (English)

1 reference

1 September 2017

1 reference

Adrià Cereto-Massagué

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Miquel Mulero

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Gerard Pujadas

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Santiago Garcia-Vallvé

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

author name string

María José Ojeda

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

Cristina Valls

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

publication date

30 September 2014

1 reference

1 September 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

volume

71

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

page(s)

98-103

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25277948%20AND%20SRC:MED&resulttype=core&format=json

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

4 June 2020

cites work

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Reverse pharmacognosy: another way to harness the generosity of nature

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Large-scale prediction and testing of drug activity on side-effect targets

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Polypharmacology: drug discovery for the future

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Computational tools for polypharmacology and repurposing

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Detecting drug promiscuity using Gaussian ensemble screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Drug repositioning: identifying and developing new uses for existing drugs

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

7 January 2021

New uses for old drugs

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Exploiting drug-disease relationships for computational drug repositioning

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

GES polypharmacology fingerprints: a novel approach for drug repositioning

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

In silico drug repositioning: what we need to know

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

The topology of drug-target interaction networks: implicit dependence on drug properties and target families

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Facing the challenges of structure-based target prediction by inverse virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

A mapping of drug space from the viewpoint of small molecule metabolism

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Comparing bioassay response and similarity ensemble approaches to probing protein pharmacology

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Molecular fingerprint similarity search in virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Predicting new molecular targets for known drugs

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Comparison of Shape-Matching and Docking as Virtual Screening Tools

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

An Analytical, Variable Resolution, Complete Description of Static Molecules and Their Intermolecular Binding Properties

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

ShaEP: molecular overlay based on shape and electrostatic potential

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Ultrafast shape recognition to search compound databases for similar molecular shapes.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Pharmacophore fingerprinting. 2. Application to primary library design

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Shaping the interaction landscape of bioactive molecules.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Relating protein pharmacology by ligand chemistry

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Prediction of drug-target interactions and drug repositioning via network-based inference

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

PDTD: a web-accessible protein database for drug target identification

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Kernel-based data fusion improves the drug-protein interaction prediction

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Identification of small molecules enhancing autophagic function from drug network analysis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Drug target prediction and repositioning using an integrated network-based approach

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

The Connectivity Map: using gene-expression signatures to connect small molecules, genes, and disease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Prediction of drug-target interactions for drug repositioning only based on genomic expression similarity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Mantra 2.0: an online collaborative resource for drug mode of action and repurposing by network analysis.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Gaussian interaction profile kernels for predicting drug-target interaction.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

PREDICT: a method for inferring novel drug indications with application to personalized medicine

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Drug target identification using side-effect similarity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Toward drug repurposing in epigenetics: olsalazine as a hypomethylating compound active in a cellular context.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Discovery and preclinical validation of drug indications using compendia of public gene expression data

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Computational repositioning of the anticonvulsant topiramate for inflammatory bowel disease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Glybenclamide: an antidiabetic with in vivo antithrombotic activity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

PubChem: Integrated Platform of Small Molecules and Biological Activities

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

SuperTarget goes quantitative: update on drug-target interactions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

WOMBAT: World of Molecular Bioactivity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

The ChEMBL bioactivity database: an update

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

DrugBank 4.0: shedding new light on drug metabolism

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Computational prediction of human metabolic pathways from the complete human genome

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

HMDB 3.0--The Human Metabolome Database in 2013

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

Data, information, knowledge and principle: back to metabolism in KEGG

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

SuperPred: update on drug classification and target prediction

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

ChemProt-2.0: visual navigation in a disease chemical biology database

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006

PASS: prediction of activity spectra for biologically active substances

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.09.006