(Q51927662)

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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

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Europe PubMed Central

PubMed publication ID

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

PubMed publication ID

17 April 2018

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

Jürgen Bajorath

3

object named as

Jürgen Bajorath

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

author name string

Andrea Tovar

1

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

Hanna Eckert

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

publication date

1 February 2007

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

208-217

1 reference

Europe PubMed Central

PubMed publication ID

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

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

1 reference

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

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Integration of virtual and high-throughput screening

1 reference

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

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

1 reference

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

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New methodologies for ligand-based virtual screening

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Stigmata: an algorithm to determine structural commonalities in diverse datasets

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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

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

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

1 reference

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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

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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

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7 January 2021

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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

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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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

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

1 reference

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

1 reference

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7 January 2021

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Identifiers

10.1002/CMDC.200600225

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

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

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