(Q56566793)

English

Improving the Search Performance of Extended Connectivity Fingerprints through Activity-Oriented Feature Filtering and Application of a Bit-Density-Dependent Similarity Function

scholarly article by Ye Hu et al published 17 April 2009 in ChemMedChem

In more languages

Statements

scholarly article

0 references

Improving the Search Performance of Extended Connectivity Fingerprints through Activity-Oriented Feature Filtering and Application of a Bit-Density-Dependent Similarity Function (English)

0 references

molecular medicine

0 references

Jürgen Bajorath

3

object named as

Jürgen Bajorath

0 references

1

object named as

Ye Hu

0 references

2

object named as

Eugen Lounkine

0 references

publication date

17 April 2009

0 references

0 references

4

0 references

4

0 references

540-548

0 references

Chemical Similarity Searching

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Reoptimization of MDL keys for use in drug discovery

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Design and evaluation of a novel class-directed 2D fingerprint to search for structurally diverse active compounds.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Stigmata: an algorithm to determine structural commonalities in diverse datasets

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Similarity metrics for ligands reflecting the similarity of the target proteins

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Combination of fingerprint-based similarity coefficients using data fusion

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

21 January 2018

Chemical substructures in drug discovery

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Searching techniques for databases of two- and three-dimensional chemical structures.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Similarity-based virtual screening using 2D fingerprints

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Similarity searching using compound class-specific combinations of substructures found in randomly generated molecular fragment populations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Comparison of 2D fingerprint methods for multiple-template similarity searching on compound activity classes of increasing structural diversity.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

RelACCS-FP: a structural minimalist approach to fingerprint design

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800408

7 January 2021

based on heuristic

inferred from DOI database lookup

Identifiers

10.1002/CMDC.200800408

0 references

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q56566793&oldid=1834107301"