Progress in the Visualization and Mining of Chemical and Target Spaces. (Q38915513)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27481140%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

review article

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title

Progress in the Visualization and Mining of Chemical and Target Spaces (English)

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20 March 2020

publication date

13 August 2013

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27481140%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

published in

Molecular Informatics

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20 March 2020

volume

32

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20 March 2020

issue

11-12

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20 March 2020

page(s)

942-953

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Structure-Based Approaches to Target Fishing and Ligand Profiling

20 March 2020

cites work

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

A chemogenomic approach to drug discovery: focus on cardiovascular diseases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Visual exploration of HTS databases: bridging the gap between chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Data visualization during the early stages of drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Data structures and computational tools for the extraction of SAR information from large compound sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

The graphical representation of ADME-related molecule properties for medicinal chemists

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

PubChem's BioAssay Database

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

21 January 2018

Navigating the kinome

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Navigating chemical space for biology and medicine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Combinatorial compound libraries for drug discovery: an ongoing challenge

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

The art and practice of structure-based drug design: A molecular modeling perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Self-Organizing Maps for In Silico Screening and Data Visualization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Chemography: the art of navigating in chemical space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Visualization of molecular fingerprints.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Assessing the predictive power of unsupervised visualization techniques to improve the identification of GPCR-focused compound libraries

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Visualizing the drug target landscape

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Cytoscape 2.8: new features for data integration and network visualization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

The protein kinase complement of the human genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Chemotography for multi-target SAR analysis in the context of biological pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

From structure-activity to structure-selectivity relationships: quantitative assessment, selectivity cliffs, and key compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Data mining of protein-binding profiling data identifies structural modifications that distinguish selective and promiscuous compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Comparison of molecular fingerprint methods on the basis of biological profile data

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Identification of chemogenomic features from drug-target interaction networks using interpretable classifiers

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Systems biology and systems chemistry: new directions for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Drug-target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

GLIDA: GPCR--ligand database for chemical genomics drug discovery--database and tools update

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

The CRIT framework for identifying cross patterns in systems biology and application to chemogenomics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Prediction of chemical-protein interactions network with weighted network-based inference method

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Enhancing the accuracy of chemogenomic models with a three-dimensional binding site kernel

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Computational screening for active compounds targeting protein sequences: methodology and experimental validation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compounds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Exploring polypharmacology using a ROCS-based target fishing approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

A Quantitative Approach to the Estimation of Chemical Space from a Given Geometry by the Combination of Atomic Species

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300041

Design of a three-dimensional multitarget activity landscape

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Analysis of multiple compound-protein interactions reveals novel bioactive molecules

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Neighborhood-Preserving Visualization of Adaptive Structure-Activity Landscapes: Application to Drug Discovery

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Bioactivity landscape modeling: chemoinformatic characterization of structure-activity relationships of compounds tested across multiple targets

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Multitarget structure-activity relationships characterized by activity-difference maps and consensus similarity measure

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Chemical space and biology

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

Chemical space as a source for new drugs

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300041

8 April 2023

Identifiers

DOI

10.1002/MINF.201300041

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27481140%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

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