(Q51927662)

English

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

scientific article published in February 2007

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scholarly article

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

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

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

Jürgen Bajorath

3

object named as

Jürgen Bajorath

1 reference

Europe PubMed Central

17 April 2018

author name string

Andrea Tovar

1

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

Hanna Eckert

2

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

publication date

1 February 2007

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

2

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

2

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

208-217

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

Chemical Similarity Searching

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Integration of virtual and high-throughput screening

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

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.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

New methodologies for ligand-based virtual screening

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Stigmata: an algorithm to determine structural commonalities in diverse datasets

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

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Similarity metrics for ligands reflecting the similarity of the target proteins

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

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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.200600225

7 January 2021

based on heuristic

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

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New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

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Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

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.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Design and evaluation of a molecular fingerprint involving the transformation of property descriptor values into a binary classification scheme.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

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Mapping algorithms for molecular similarity analysis and ligand-based virtual screening: design of DynaMAD and comparison with MAD and DMC.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Determination and mapping of activity-specific descriptor value ranges for the identification of active compounds.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600225

7 January 2021

based on heuristic

inferred from DOI database lookup

Identifiers

10.1002/CMDC.200600225

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

1 reference

Europe PubMed Central

17 April 2018

http://europepmc.org/abstract/MED/17143917

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