Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces-Reference-Cited by-同舟云学术

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Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces

Published:2013-07-09 Issue:7 Volume:53 Page:1676-1688
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ehrlich Hans-Christian¹,Henzler Angela M.¹,Rarey Matthias¹

Affiliation:

1. University of Hamburg, Bundestraße 43, 20146 Hamburg, Germany

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci400107k

Reference49 articles.

1. The graph isomorphism disease

2. Further annotated bibliography on the isomorphism disease

3. An Algorithm for Subgraph Isomorphism

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1. Shape-Aware Synthon Search (SASS) for Virtual Screening of Synthon-Based Chemical Spaces;Journal of Chemical Information and Modeling;2024-02-09

2. Fast Substructure Search in Combinatorial Library Spaces;Journal of Chemical Information and Modeling;2023-05-24

3. Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores;Journal of Computer-Aided Molecular Design;2022-11-24

4. Intelligent pharmaceutical patent search on a near-term gate-based quantum computer;Scientific Reports;2022-01-07

5. Conformator: A Novel Method for the Generation of Conformer Ensembles;Journal of Chemical Information and Modeling;2019-02-12

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