(Q43720695)

26 November 2017

title

Representation of multi-target activity landscapes through target pair-based compound encoding in self-organizing maps (English)

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26 November 2017

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2

Jürgen Bajorath

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26 November 2017

1

Preeti Iyer

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26 November 2017

publication date

5 October 2011

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Chemical Biology and Drug Design

26 November 2017

published in

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26 November 2017

volume

78

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26 November 2017

issue

5

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26 November 2017

page(s)

778-786

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Navigating structure–activity landscapes

26 November 2017

cites work

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

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/10.1111%2FJ.1747-0285.2011.01235.X

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Global mapping of pharmacological space

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Network pharmacology: the next paradigm in drug discovery

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

The chemical basis of pharmacology

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Conciliating binding efficiency and polypharmacology

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Computational analysis of ligand relationships within target families

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Computational analysis of multi-target structure-activity relationships to derive preference orders for chemical modifications toward target selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

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

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

Extended-connectivity fingerprints

21 January 2018

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https://api.crossref.org/works/10.1111%2FJ.1747-0285.2011.01235.X

10.1111/J.1747-0285.2011.01235.X

21 January 2018

Identifiers

DOI

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26 November 2017

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