(Q30643727)

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Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity

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scholarly article

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Europe PubMed Central

PubMed publication ID

25 June 2017

Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity (English)

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Europe PubMed Central

PubMed publication ID

25 June 2017

author name string

Mason JS

1

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Europe PubMed Central

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25 June 2017

Beno BR

2

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Europe PubMed Central

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25 June 2017

publication date

1 August 2000

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Europe PubMed Central

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25 June 2017

Journal of Molecular Graphics & Modelling

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Europe PubMed Central

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25 June 2017

18

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25 June 2017

4-5

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Europe PubMed Central

PubMed publication ID

25 June 2017

438-51, 538

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Europe PubMed Central

PubMed publication ID

25 June 2017

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

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Metric Validation and the Receptor-Relevant Subspace Concept

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https://api.crossref.org/works/10.1016%2FS1093-3263%2800%2900073-5

7 January 2021

based on heuristic

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New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures

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https://api.crossref.org/works/10.1016%2FS1093-3263%2800%2900073-5

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New methodology for profiling combinatorial libraries and screening sets: cleaning up the design process with HARPick

1 reference

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7 January 2021

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Rational combinatorial library design. 3. Simulated annealing guided evaluation (SAGE) of molecular diversity: a novel computational tool for universal library design and database mining.

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A New Method for determining the Type of Distribution of Plant Individuals

1 reference

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Design of libraries to explore receptor sites

1 reference

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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

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7 January 2021

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Strategic Pooling of Compounds for High-Throughput Screening

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CombiDOCK: structure-based combinatorial docking and library design

1 reference

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7 January 2021

based on heuristic

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Identifiers

10.1016/S1093-3263(00)00073-5

1 reference

Europe PubMed Central

PubMed publication ID

25 June 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

25 June 2017

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