(Q38693023)

5 September 2017

title

Protein-Ligand Empirical Interaction Components for Virtual Screening (English)

1 reference

5 September 2017

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

John Z. H. Zhang

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

Changge Ji

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

author name string

Yuna Yan

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

Weijun Wang

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

publication date

5 July 2017

1 reference

Journal of Chemical Information and Modeling

5 September 2017

language of work or name

English

0 references

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

volume

57

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

issue

8

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3 June 2020

page(s)

1793-1806

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ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling

3 June 2020

cites work

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Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance

3 January 2022

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Active learning with support vector machines in the drug discovery process

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Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions

1 October 2024

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7 December 2024

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7 December 2024

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On the use of neural network ensembles in QSAR and QSPR.

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7 December 2024

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Impact of scoring functions on enrichment in docking-based virtual screening: an application study on renin inhibitors.

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7 December 2024

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QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors

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7 December 2024

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Random forest: a classification and regression tool for compound classification and QSAR modeling

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7 December 2024

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Optimizing fragment and scaffold docking by use of molecular interaction fingerprints

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19 April 2025

https://opencitations.net/index/api/v1/citations/10.1021/CI600342E

Structural Protein–Ligand Interaction Fingerprints (SPLIF) for Structure-Based Virtual Screening: Method and Benchmark Study

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19 April 2025

https://opencitations.net/index/api/v1/citations/10.1021/CI500319F

Assessing different classification methods for virtual screening

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19 April 2025

https://opencitations.net/index/api/v1/citations/10.1021/CI050519K

Receiver operating characteristics curves and related decision measures: A tutorial

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27 April 2025

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Machine learning methods in chemoinformatics

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Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide

19 July 2025

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https://opencitations.net/index/api/v1/citations/10.1007/S10822-012-9575-9

Confidence limits, error bars and method comparison in molecular modeling. Part 1: The calculation of confidence intervals

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1007/S10822-014-9753-Z

Recommendations for evaluation of computational methods

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1007/S10822-008-9196-5

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1023/A:1016357811882

Evaluation of machine-learning methods for ligand-based virtual screening

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1007/S10822-006-9096-5

Bias, reporting, and sharing: computational evaluations of docking methods

30 November 2025

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Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

30 November 2025

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Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1023/A:1008040323669

Biased retrieval of chemical series in receptor-based virtual screening

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1007/S10822-010-9394-9

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

30 November 2025

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https://opencitations.net/index/api/v1/citations/10.1023/A:1007996124545

30 November 2025

Identifiers

DOI

10.1021/ACS.JCIM.7B00017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28678484%20AND%20SRC:MED&resulttype=core&format=json

3 June 2020

1 reference