Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices (Q34105486)

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

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scholarly article

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Europe PubMed Central

PubMed publication ID

31 July 2017

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

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Europe PubMed Central

PubMed publication ID

31 July 2017

author name string

Lionel Colliandre

1

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Europe PubMed Central

PubMed publication ID

31 July 2017

Vincent Le Guilloux

2

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Europe PubMed Central

PubMed publication ID

31 July 2017

Stephane Bourg

3

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Europe PubMed Central

PubMed publication ID

31 July 2017

Luc Morin-Allory

4

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Europe PubMed Central

PubMed publication ID

31 July 2017

publication date

5 January 2012

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Europe PubMed Central

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31 July 2017

Journal of Chemical Information and Modeling

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Europe PubMed Central

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31 July 2017

2011 Noordwijkerhout Cheminformatics

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https://pubs.acs.org/toc/jcisd8/52/2

52

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Europe PubMed Central

PubMed publication ID

31 July 2017

2

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

327-342

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Europe PubMed Central

PubMed publication ID

31 July 2017

Atom Type Preferences, Structural Diversity, and Property Profiles of Known Drugs, Leads, and Nondrugs: A Comparative Assessment

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Binning schemes for partition-based compound selection.

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Assessment of chemical libraries for their druggability

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Novel algorithms for the optimization of molecular diversity of combinatorial libraries

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Combinatorial library design for diversity, cost efficiency, and drug-like character

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

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Balancing Representativeness Against Diversity using OptimizableK-Dissimilarity and Hierarchical Clustering

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Automatic Subspace Clustering of High Dimensional Data

1 reference

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Variability of molecular descriptors in compound databases revealed by Shannon entropy calculations

1 reference

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1 October 2024

Visualization of molecular fingerprints.

1 reference

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Molecular Diversity and Representativity in Chemical Databases

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Extended-connectivity fingerprints

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Cell-integral-diversity criterion: a proposal for minimizing cluster artifact in cell-based selections

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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A Mathematical Theory of Communication

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A ‘Rule of Three’ for fragment-based lead discovery?

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Visual Characterization and Diversity Quantification of Chemical Libraries: 1. Creation of Delimited Reference Chemical Subspaces

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Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compounds.

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Cheminformatics approaches to analyze diversity in compound screening libraries.

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The properties of known drugs. 1. Molecular frameworks

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Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers

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Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity

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A constant time algorithm for estimating the diversity of large chemical libraries

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Evaluation of reagent-based and product-based strategies in the design of combinatorial library subsets

1 reference

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Kolmogorov-Smirnov statistic and its application in library design

1 reference

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Identifiers

10.1021/CI200535Y

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

DBLP publication ID

journals/jcisd/ColliandreGBM12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

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