(Q28681290)

Creative Commons Attribution 2.0 Generic

volume

5

0 references

issue

1

0 references

page(s)

26

0 references

copyright license

start time

30 May 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

ChEMBL: a large-scale bioactivity database for drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Optimal assignment methods for ligand-based virtual screening

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Recommendations for evaluation of computational methods

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Community benchmarks for virtual screening

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

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

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Extended-connectivity fingerprints

17 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Recognizing pitfalls in virtual screening: a critical review

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Effectiveness of 2D fingerprints for scaffold hopping

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Critical comparison of virtual screening methods against the MUV data set.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Clustering files of chemical structures using the Székely-Rizzo generalization of Ward's method

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Comparison of ligand- and structure-based virtual screening on the DUD data set.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Impact of benchmark data set topology on the validation of virtual screening methods: exploration and quantification by spatial statistics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

What do we know and when do we know it?

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

On scaffolds and hopping in medicinal chemistry

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

There is no such thing as 'diversity'!

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

Why do we need so many chemical similarity search methods?

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

The properties of known drugs. 1. Molecular frameworks

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3686626

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

3 June 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-5-26

Alternative global goodness metrics and sensitivity analysis: heuristics to check the robustness of conclusions from studies comparing virtual screening methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-5-26

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-5-26

Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-5-26

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-5-26

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

21 January 2018

1 reference

12 December 2020

Activity landscape representations for structure-activity relationship analysis

1 reference

12 December 2020

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

1 reference

12 December 2020

Inflation of correlation in the pursuit of drug-likeness

1 reference

12 December 2020

Better than random? The chemotype enrichment problem

1 reference

12 December 2020

Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance

1 reference

12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

12 December 2020

Handbook of Molecular Descriptors

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-26

The Use of Ranks to Avoid the Assumption of Normality Implicit in the Analysis of Variance

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-26

2 January 2022

Identifiers

DOI

10.1186/1758-2946-5-26

1 reference

journals/jcheminf/RinikerL13

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-26

1 reference

1 reference

PubMed publication ID

23721588

1 reference