(Q34005814)

30 July 2017

title

Scaffold diversity of exemplified medicinal chemistry space (English)

1 reference

ORCID Public Data File 2021

30 July 2017

Sarah R Langdon

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author name string

Nathan Brown

series ordinal

1 reference

30 July 2017

Julian Blagg

series ordinal

1 reference

30 July 2017

publication date

31 August 2011

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Journal of Chemical Information and Modeling

30 July 2017

published in

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30 July 2017

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30 July 2017

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30 July 2017

page(s)

2174-2185

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Design of chemical libraries for screening

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Scaffold explorer: an interactive tool for organizing and mining structure-activity data spanning multiple chemotypes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

2D depiction of fragment hierarchies

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Systematic analysis of public domain compound potency data identifies selective molecular scaffolds across druggable target families

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Interactive exploration of chemical space with Scaffold Hunter

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Bioactivity-guided mapping and navigation of chemical space.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Heteroaromatic rings of the future.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Kinase-targeted libraries: the design and synthesis of novel, potent, and selective kinase inhibitors

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Scaffold diversity of natural products: inspiration for combinatorial library design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Scaffold topologies. 2. Analysis of chemical databases

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

DrugBank: a knowledgebase for drugs, drug actions and drug targets

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Assessing the scaffold diversity of screening libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

DrugBank: a comprehensive resource for in silico drug discovery and exploration

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

HierS: hierarchical scaffold clustering using topological chemical graphs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Analysis of large screening data sets via adaptively grown phylogenetic-like trees.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

The properties of known drugs. 1. Molecular frameworks

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Structural diversity of organic chemistry. A scaffold analysis of the CAS Registry.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Mining a chemical database for fragment co-occurrence: discovery of "chemical clichés".

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Exploring chemical rings in a simple topological-descriptor space

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3180201

Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs

10 December 2018

1 reference

12 December 2020

Molecular Property eXplorer: a novel approach to visualizing SAR using tree-maps and heatmaps

1 reference

12 December 2020

Ring systems in mutagenicity databases

1 reference

12 December 2020

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

1 reference

12 December 2020

An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamilies

1 reference

12 December 2020

Identifiers

DOI

10.1021/CI2001428

1 reference

journals/jcisd/LangdonBB11

30 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference