(Q33456687)

26 July 2017

Quantifying biogenic bias in screening libraries (English)

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26 July 2017

1 reference

2

John J Irwin

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Brian K. Shoichet

series ordinal

5

object named as

Brian K Shoichet

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Michael J Keiser

object named as

Michael J Keiser

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4

0 references

Jérôme Hert

series ordinal

1

object named as

Jérôme Hert

1 reference

26 July 2017

3

Christian Laggner

1 reference

26 July 2017

31 May 2009

1 reference

26 July 2017

Nature Chemical Biology

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26 July 2017

5

1 reference

26 July 2017

479-483

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26 July 2017

7

1 reference

https://scigraph.springernature.com/pub.10.1038/nchembio.180

26 July 2017

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cites work

Scaffold topologies. 2. Analysis of chemical databases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Coverage and bias in chemical library design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Origin and evolution of high throughput screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Measuring CAMD technique performance. 2. How "druglike" are drugs? Implications of Random test set selection exemplified using druglikeness classification models

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Discovery and development of sorafenib: a multikinase inhibitor for treating cancer.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Global mapping of pharmacological space

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Charting biologically relevant chemical space: a structural classification of natural products (SCONP)

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Advancing chemistry and biology through diversity-oriented synthesis of natural product-like libraries

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

The evolving role of natural products in drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

ZINC--a free database of commercially available compounds for virtual screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Mapping chemical space using molecular descriptors and chemical genetics: deacetylase inhibitors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

From protein domains to drug candidates-natural products as guiding principles in the design and synthesis of compound libraries

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Diverse viewpoints on computational aspects of molecular diversity.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Target-oriented and diversity-oriented organic synthesis in drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

KEGG: kyoto encyclopedia of genes and genomes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

High-throughput screening of historic collections: observations on file size, biological targets, and file diversity

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

The art and practice of structure-based drug design: A molecular modeling perspective

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

The properties of known drugs. 1. Molecular frameworks

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

A scoring scheme for discriminating between drugs and nondrugs.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2783405

High-throughput screening: searching for higher productivity

31 October 2018

1 reference

12 December 2020

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

1 reference

12 December 2020

Virtual exploration of the small-molecule chemical universe below 160 Daltons

1 reference

12 December 2020

Critical review of the role of HTS in drug discovery

1 reference

12 December 2020

Charting Biological and Chemical Space: PSSC and SCONP as Guiding Principles for the Development of Compound Collections Based on Natural Product Scaffolds

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FNCHEMBIO.180

7 January 2021

inferred from DOI database lookup

Cheminformatic Analysis of Natural Products and their Chemical Space

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FNCHEMBIO.180

7 January 2021

inferred from DOI database lookup

The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FNCHEMBIO.180

7 January 2021

inferred from DOI database lookup

Identifiers

DOI

10.1038/NCHEMBIO.180

1 reference

26 July 2017

1 reference

26 July 2017

1 reference

PubMed ID

19483698