(Q30481529)

12 November 2017

1 reference

16 October 2023

1 reference

PubMed publication ID

18253702

title

What do we know and when do we know it? (English)

1 reference

12 November 2017

1 reference

19 September 2019

1 reference

27 August 2020

computer-aided design

1 reference

PubMed publication ID

1

Anthony Nicholls

1 reference

12 November 2017

6 February 2008

6 references

Journal of Computer - Aided Molecular Design

12 November 2017

22 June 2019

19 September 2019

27 August 2020

22 August 2022

16 October 2023

6 references

12 November 2017

22 June 2019

19 September 2019

27 August 2020

22 August 2022

16 October 2023

22

1 reference

12 November 2017

3-4

1 reference

12 November 2017

239-255

1 reference

Comparison of topological, shape, and docking methods in virtual screening.

12 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Benchmarking sets for molecular docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

A critical assessment of docking programs and scoring functions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Contradicted and initially stronger effects in highly cited clinical research

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

ROC curves in clinical chemistry: uses, misuses, and possible solutions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

The meaning and use of the area under a receiver operating characteristic (ROC) curve

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

A method of comparing the areas under receiver operating characteristic curves derived from the same cases

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Comparing the areas under two or more correlated receiver operating characteristic curves: a nonparametric approach

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Basic principles of ROC analysis

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Comparison of Shape-Matching and Docking as Virtual Screening Tools

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Virtual screening using protein-ligand docking: avoiding artificial enrichment.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Ligand-based structural hypotheses for virtual screening

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

A simple correction for multiple comparisons in interval mapping genome scans.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2270923

Protocols for bridging the peptide to nonpeptide gap in topological similarity searches

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18253702

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18253702

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-008-9170-2

1 reference

journals/jcamd/Nicholls08

12 November 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PMC publication ID

2270923

12 November 2017

PubMed publication ID

18253702

1 reference

PMC publication ID

2270923