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Recommendations for evaluation of computational methods

scientific article (publication date: 2008)

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2 references

19 September 2019

8 April 2021

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Recommendations for evaluation of computational methods (English)

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main subject

drug discovery

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data sharing

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biomedical investigative technique

1 reference

stated in

PubMed

retrieved

19 September 2019

computational biology

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8 April 2021

2

Anthony Nicholls

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author name string

Ajay N Jain

series ordinal

1

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language of work or name

English

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publication date

2008

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stated in

PubMed

13 March 2008

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19 September 2019

8 April 2021

Journal of Computer - Aided Molecular Design

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19 September 2019

8 April 2021

22

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issue

3-4

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page(s)

133-9

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cites work

Community benchmarks for virtual screening

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stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

16 March 2017

What do we know and when do we know it?

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

3 June 2018

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

3 June 2018

Evaluating docking programs: keeping the playing field level.

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

3 June 2018

Lead-like, drug-like or "Pub-like": how different are they?

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

3 June 2018

Managing bias in ROC curves.

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

27 November 2018

Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2311385

retrieved

27 November 2018

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/18338228

retrieved

12 December 2020

based on heuristic

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Identifiers

DOI

10.1007/S10822-008-9196-5

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DBLP publication ID

journals/jcamd/JainN08

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PMC publication ID

2311385

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PubMed publication ID

18338228

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ResearchGate publication ID

5514547

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(Q28755020)

Recommendations for evaluation of computational methods

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