Rapid scanning structure-activity relationships in combinatorial data sets: identification of activity switches (Q30632627)

13 November 2017

Rapid scanning structure-activity relationships in combinatorial data sets: identification of activity switches (English)

1 reference

13 November 2017

José L. Medina-Franco

1

object named as

José L Medina-Franco

1 reference

13 November 2017

Bruce S Edwards

2

1 reference

13 November 2017

Clemencia Pinilla

3

1 reference

13 November 2017

Jon R Appel

4

1 reference

13 November 2017

Marc A Giulianotti

5

1 reference

13 November 2017

Radleigh G Santos

6

1 reference

13 November 2017

Austin B Yongye

7

1 reference

13 November 2017

Larry A Sklar

8

1 reference

13 November 2017

Richard A Houghten

9

1 reference

13 November 2017

7 June 2013

1 reference

Journal of Chemical Information and Modeling

13 November 2017

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13 November 2017

53

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13 November 2017

6

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13 November 2017

1475-1485

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Selective agonists and antagonists of formylpeptide receptors: duplex flow cytometry and mixture-based positional scanning libraries

13 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Matched molecular pair analysis in drug discovery.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Activity cliffs: facts or artifacts?

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Shifting from the single to the multitarget paradigm in drug discovery

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Early phase drug discovery: cheminformatics and computational techniques in identifying lead series

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

SAR matrices: automated extraction of information-rich SAR tables from large compound data sets

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Expanding the medicinally relevant chemical space with compound libraries

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Modeling of activity landscapes for drug discovery

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Extended-connectivity fingerprints

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Enhanced SAR maps: expanding the data rendering capabilities of a popular medicinal chemistry tool.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Formylpeptide receptor FPR and the rapid growth of malignant human gliomas

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Advances in the use of synthetic combinatorial chemistry: mixture-based libraries

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Formyl-peptide receptors revisited

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

The neurotoxic prion peptide fragment PrP(106-126) is a chemotactic agonist for the G protein-coupled receptor formyl peptide receptor-like 1.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Mixture-based synthetic combinatorial libraries.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Activity landscape modeling of PPAR ligands with dual-activity difference maps.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Exploring activity cliffs in medicinal chemistry

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

Single R-Group Polymorphisms (SRPs) and R-cliffs: an intuitive framework for analyzing and visualizing activity cliffs in a single analog series

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3715655

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

25 November 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

CASE plots for the chemotype-based activity and selectivity analysis: a CASE study of cyclooxygenase inhibitors

1 reference

12 December 2020

Consensus models of activity landscapes with multiple chemical, conformer, and property representations

1 reference

12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

12 December 2020

Identifiers

DOI

10.1021/CI400192Y

1 reference

journals/jcisd/Medina-FrancoEPAGSYSH13

13 November 2017

1 reference

DBLP Dataset 2021-01-02

release_tttaizqairapdnbyokxueke7h4

28 January 2021

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/tttaizqairapdnbyokxueke7h4

24 November 2022

mapped directly with Wikidata item

1 reference

13 November 2017

PubMed publication ID

23705689

1 reference