Validity of ligand efficiency metrics. (Q40809421)

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20 March 2020

editorial

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title

Validity of ligand efficiency metrics (English)

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20 March 2020

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20 March 2020

Gyorgy M Keseru

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20 March 2020

author name string

Daniel A Erlanson

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20 March 2020

Andrew L Hopkins

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Paul D Leeson

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David C Rees

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Charles H Reynolds

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Nicola J Richmond

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publication date

9 May 2014

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ACS Medicinal Chemistry Letters

20 March 2020

published in

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volume

5

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page(s)

616-618

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issue

6

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Improving the plausibility of success with inefficient metrics

20 March 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

Ligand efficiency: a useful metric for lead selection

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

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

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

The maximal affinity of ligands

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

The role of ligand efficiency metrics in drug discovery.

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

Assessing the lipophilicity of fragments and early hits.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

Simple size-independent measure of ligand efficiency.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

The influence of drug-like concepts on decision-making in medicinal chemistry.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4060940

The influence of lead discovery strategies on the properties of drug candidates

19 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24944729

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Ligand binding efficiency: trends, physical basis, and implications

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24944729

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/ML500146D

1 reference

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20 March 2020

1 reference

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20 March 2020

1 reference

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