(Q37999871)

26 August 2017

title

Modeling of activity landscapes for drug discovery (English)

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26 August 2017

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1

Jürgen Bajorath

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26 August 2017

language of work or name

English

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publication date

5 April 2012

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Expert Opinion on Drug Discovery

26 August 2017

published in

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26 August 2017

volume

7

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26 August 2017

issue

6

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26 August 2017

page(s)

463-473

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3-D pharmacophores in drug discovery

26 August 2017

cites work

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https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Three-dimensional pharmacophore methods in drug discovery

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.679616

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Searching techniques for databases of two- and three-dimensional chemical structures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Navigating structure–activity landscapes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

SAR index: quantifying the nature of structure-activity relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

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/10.1517%2F17460441.2012.679616

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Local structural changes, global data views: graphical substructure-activity relationship trailing

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Exploration of structure-activity relationship determinants in analogue series

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2012.679616

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/10.1517%2F17460441.2012.679616

Directed R-group combination graph: a methodology to uncover structure-activity relationship patterns in a series of analogues.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Exploring SAR continuity in the vicinity of activity cliffs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

From activity cliffs to activity ridges: informative data structures for SAR analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

SAR monitoring of evolving compound data sets using activity landscapes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

SARANEA: a freely available program to mine structure-activity and structure-selectivity relationship information in compound data sets

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.679616

10.1517/17460441.2012.679616

21 January 2018

Identifiers

DOI

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release_tztb2iameja3xhbccuwytwmxjq

26 August 2017

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/tztb2iameja3xhbccuwytwmxjq

mapped directly with Wikidata item

24 November 2022

based on heuristic

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