Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space (Q34707685)

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Language	Label	Description	Also known as
English	Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space	scientific article

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scholarly article

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Europe PubMed Central

PubMed publication ID

4 August 2017

Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space (English)

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Europe PubMed Central

PubMed publication ID

4 August 2017

7

object named as

Andreas Bender

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Europe PubMed Central

PubMed publication ID

4 August 2017

6

object named as

Robert C Glen

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Europe PubMed Central

PubMed publication ID

4 August 2017

author name string

Ha P Nguyen

1

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Europe PubMed Central

PubMed publication ID

4 August 2017

Alexios Koutsoukas

2

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PubMed publication ID

4 August 2017

Fazlin Mohd Fauzi

3

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Europe PubMed Central

PubMed publication ID

4 August 2017

Georgios Drakakis

4

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Europe PubMed Central

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4 August 2017

Mateusz Maciejewski

5

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PubMed publication ID

4 August 2017

publication date

1 September 2013

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4 August 2017

Chemical Biology and Drug Design

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4 August 2017

82

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4 August 2017

3

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4 August 2017

252-266

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PubMed publication ID

4 August 2017

Cheminformatics approaches to analyze diversity in compound screening libraries.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Enrichment of extremely noisy high-throughput screening data using a naïve Bayes classifier

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https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

There is no such thing as 'diversity'!

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https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Features of similarity

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Molecular similarity: a key technique in molecular informatics

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Molecular similarity and diversity in chemoinformatics: from theory to applications.

1 reference

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21 January 2018

Reoptimization of MDL keys for use in drug discovery

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Maximum-Score Diversity Selection for Early Drug Discovery

1 reference

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21 January 2018

Comparison of algorithms for dissimilarity-based compound selection.

1 reference

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21 January 2018

DISE: directed sphere exclusion

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design

1 reference

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21 January 2018

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

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21 January 2018

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

1 reference

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21 January 2018

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Predicting ligand binding to proteins by affinity fingerprinting

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Flexsim-R: a virtual affinity fingerprint descriptor to calculate similarities of functional groups

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Flexsim-X: a method for the detection of molecules with similar biological activity

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases.

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Bioactive diversity and screening library selection via affinity fingerprinting

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

From in silico target prediction to multi-target drug design: current databases, methods and applications

1 reference

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21 January 2018

Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation

1 reference

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21 January 2018

Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Sensitivity and selectivity in protein structure comparison

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Dissimilarity-based algorithms for selecting structurally diverse sets of compounds

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

Modeling promiscuity based on in vitro safety pharmacology profiling data

1 reference

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21 January 2018

Balancing Representativeness Against Diversity using OptimizableK-Dissimilarity and Hierarchical Clustering

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12155

21 January 2018

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI0498719

Identifiers

10.1111/CBDD.12155

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

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