(Q30755326)

26 June 2017

title

Mining Natural-Products Screening Data for Target-Class Chemical Motifs (English)

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natural product chemistry

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Gonzalo Colmenarejo

6

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Deepak Bandyopadhyay

2

object named as

Deepak Bandyopadhyay

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26 June 2017

Isabel Coma

1

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26 June 2017

Emilio Diez

3

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Emilio Alvarez Ruiz

4

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Maria Teresa de los Frailes

5

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publication date

11 February 2014

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Journal of Biomolecular Screening

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published in

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volume

19

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issue

5

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page(s)

749-757

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The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data

26 June 2017

cites work

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https://api.crossref.org/works/10.1177%2F1087057114521463

Detection and assignment of common scaffolds in project databases of lead molecules

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Natural products: a continuing source of novel drug leads

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Natural product-likeness score and its application for prioritization of compound libraries.

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculations

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Charting, navigating, and populating natural product chemical space for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1177%2F1087057114521463

Extraction of structure-activity relationship information from high-throughput screening data

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Statistics and decision making in high-throughput screening.

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Do structurally similar molecules have similar biological activity?

21 January 2018

1 reference

https://api.crossref.org/works/10.1177%2F1087057114521463

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1177%2F1087057114521463

Reoptimization of MDL keys for use in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1177%2F1087057114521463

The properties of known drugs. 1. Molecular frameworks

21 January 2018

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Impact of high-throughput screening in biomedical research

21 January 2018

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Redox regulation in malaria: current concepts and pharmacotherapeutic implications

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

Characteristics of known drug space. Natural products, their derivatives and synthetic drugs

21 January 2018

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https://api.crossref.org/works/10.1177%2F1087057114521463

21 January 2018

Identifiers

DOI

10.1177/1087057114521463

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26 June 2017

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