ChemTreeMap: an interactive map of biochemical similarity in molecular datasets (Q39497875)

http://europepmc.org/abstract/PMC/5181537

25 December 2017

title

ChemTreeMap: an interactive map of biochemical similarity in molecular datasets (English)

1 reference

http://europepmc.org/abstract/PMC/5181537

25 December 2017

1 reference

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

Heather A Carlson

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

language of work or name

English

0 references

publication date

11 August 2016

1 reference

http://europepmc.org/abstract/PMC/5181537

25 December 2017

published in

Bioinformatics

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

volume

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

page(s)

3584-3592

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

DMAP: a connectivity map database to enable identification of novel drug repositioning candidates

12 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Synergy Maps: exploring compound combinations using network-based visualization

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

DataWarrior: an open-source program for chemistry aware data visualization and analysis

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Exploiting large-scale drug-protein interaction information for computational drug repurposing

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

PubChem's BioAssay Database

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

ChEMBL: a large-scale bioactivity database for drug discovery

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Extended-connectivity fingerprints

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Interactive exploration of chemical space with Scaffold Hunter

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Differences between high- and low-affinity complexes of enzymes and nonenzymes

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

ChemBank: a small-molecule screening and cheminformatics resource database

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Cheminformatics analysis and learning in a data pipelining environment

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Shortest triplet clustering: reconstructing large phylogenies using representative sets

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Prospects for inferring very large phylogenies by using the neighbor-joining method

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Reoptimization of MDL keys for use in drug discovery

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Genetic optimization of combinatorial libraries

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Optimization and visualization of molecular diversity of combinatorial libraries

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

The neighbor-joining method: a new method for reconstructing phylogenetic trees

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

A comparison of methods for modeling quantitative structure-activity relationships

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5181537

Web service conversation modeling: a cornerstone for e-business automation

21 August 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

Prediction of novel drug indications using network driven biological data prioritization and integration

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

Making SharePoint® Chemically Aware™.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

Why Neighbor-Joining Works

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

21 January 2018

Rapid Neighbour-Joining

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

Prediction of Physicochemical Parameters by Atomic Contributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

21 January 2018

Distance between Sets

1 reference

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTW523

Exploring Activity Cliffs from a Chemoinformatics Perspective

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27515740

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

inSARa: Intuitive and Interactive SAR Interpretation by Reduced Graphs and Hierarchical MCS-Based Network Navigation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27515740

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

CheS-Mapper 2.0 for visual validation of (Q)SAR models

1 reference

14 October 2024

https://opencitations.net/index/api/v1/citations/10.1186/S13321-014-0041-7

Identifiers

DOI

10.1093/BIOINFORMATICS/BTW523

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json

journals/bioinformatics/LuC16

12 June 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:27515740%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

PubMed publication ID

27515740

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27515740%20AND%20SRC:MED&resulttype=core&format=json