(Q44315438)

1 December 2017

title

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

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1 December 2017

Jürgen Bajorath

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1 December 2017

Ye Hu

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1 December 2017

Lisa Peltason

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1 December 2017

publication date

1 November 2009

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1 December 2017

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1 December 2017

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1 December 2017

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1 December 2017

page(s)

1864-1873

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Chemical Similarity Searching

1 December 2017

cites work

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https://api.crossref.org/works/10.1002%2FCMDC.200900300

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Methods for applying the quantitative structure-activity relationship paradigm

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Network pharmacology: the next paradigm in drug discovery

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Global mapping of pharmacological space

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Relating protein pharmacology by ligand chemistry

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Quantifying the relationships among drug classes

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

A quantitative analysis of kinase inhibitor selectivity

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Computational analysis of ligand relationships within target families

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

SAR index: quantifying the nature of structure-activity relationships

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Navigating structure–activity landscapes

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Methods for computer-aided chemical biology. Part 3: analysis of structure-selectivity relationships through single- or dual-step selectivity searching and Bayesian classification

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Graph drawing by force-directed placement

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Structural interpretation of activity cliffs revealed by systematic analysis of structure-activity relationships in analog series

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Systematic Computational Analysis of Structure–Activity Relationships: Concepts, Challenges and Recent Advances

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200900300

7 January 2021

Identifiers

DOI

10.1002/CMDC.200900300

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1 December 2017

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