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Intuitive Patent Markush Structure Visualization Tool for Medicinal Chemists

https://doi.org/10.1021/ci100261u
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1016/j.wpi.2008.09.012openalex-snapshot
Towards in-house searching of Markush structures from patents
inferredcites →https://doi.org/10.1016/s0172-2190(00)00108-3openalex-snapshot
Current state of the art of Markush topological search systems
inferredcites →https://doi.org/10.1016/s0172-2190(03)00073-5openalex-snapshot
Markush structure searching over the years
inferredcites →https://doi.org/10.1016/s1093-3263(00)00067-xopenalex-snapshot
Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries
inferredcites →https://doi.org/10.1021/ci00001a004openalex-snapshot
The Chemical Abstracts Service generic chemical (Markush) structure storage and retrieval capability. 2. The MARPAT file
inferredcites →https://doi.org/10.1021/ci00001a010openalex-snapshot
A comparison of different approaches to Markush structure handling
inferredcites →https://doi.org/10.1021/ci00002a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 11. Theoretical aspects of the use of structure languages in a retrieval system
inferredcites →https://doi.org/10.1021/ci00002a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 12. Principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search
inferredcites →https://doi.org/10.1021/ci00002a011openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation
inferredcites →https://doi.org/10.1021/ci00007a012openalex-snapshot
Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
inferredcites →https://doi.org/10.1021/ci00009a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 14. Fragment generation from generic structures
inferredcites →https://doi.org/10.1021/ci00013a013openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 15. Generation of topological fragment descriptors from nontopological representations of generic structure components
inferredcites →https://doi.org/10.1021/ci00023a001openalex-snapshot
Computer Storage and Retrieval of Generic Chemical Structures in Patents. 16. The Refined Search: An Algorithm for Matching Components of Generic Chemical Structures at the Atom-Bond Level
inferredcites →https://doi.org/10.1021/ci00026a001openalex-snapshot
Computer Storage and Retrieval of Generic Chemical Structures in Patents. 17. Evaluation of the Refined Search
inferredcites →https://doi.org/10.1021/ci00031a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 1. Introduction and general strategy
inferredcites →https://doi.org/10.1021/ci00031a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 2. GENSAL, a formal language for the description of generic chemical structures
inferredcites →https://doi.org/10.1021/ci00031a011openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 3. Chemical grammars and their role in the manipulation of chemical structures
inferredcites →https://doi.org/10.1021/ci00035a006openalex-snapshot
Computer storage and retrieval of generic structures in chemical patents. 4. An extended connection table representation for generic structures
inferredcites →https://doi.org/10.1021/ci00042a003openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 5. Algorithmic generation of fragment descriptors for generic structure screening
inferredcites →https://doi.org/10.1021/ci00042a004openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 6. An interpreter program for the generic structure description language GENSAL
inferredcites →https://doi.org/10.1021/ci00051a006openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
inferredcites →https://doi.org/10.1021/ci00055a007openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
inferredcites →https://doi.org/10.1021/ci00063a009openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 9. An algorithm to find the extended set of smallest rings in structurally explicit generics
inferredcites →https://doi.org/10.1021/ci00063a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics
inferredcites →https://doi.org/10.1021/ci00066a008openalex-snapshot
The Chemical Abstract's Service generic chemical (Markush) structure storage and retrieval capability. 1. Basic concepts
inferredcites →https://doi.org/10.1021/ci00067a005openalex-snapshot
SMILES. 3. DEPICT. Graphical depiction of chemical structures
inferredcites →https://doi.org/10.1021/ci600531aopenalex-snapshot
Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data
inferredcites →https://doi.org/10.1021/ci7004687openalex-snapshot
SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
inferredcites →https://doi.org/10.1021/ci950173lopenalex-snapshot
The Sheffield Generic Structures Projecta Retrospective Review
inferredcites →https://doi.org/10.1021/ci9600364openalex-snapshot
Handling Genericity in Chemical Structures Using the Markush Darc Software
inferredcites →https://doi.org/10.1021/ci960094popenalex-snapshot
Representation of Chemical Structures in Knowledge-Based Systems: The StAR System
inferredcites →https://doi.org/10.1021/jm50001a009openalex-snapshot
[(Aminomethy)aryloxy]acetic Acid Esters. A New Class of High-Ceiling Diuretics. 4. Substituted 6,7-Dichloro-2,3-dihydrobenzofurans Derived by Ring Annelation

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527665143.ch02openalex-snapshot
Markush Structures and Chemical Patents
inferred← citeshttps://doi.org/10.1002/minf.201100041openalex-snapshot
Mapping Chemical Structures to Markush Structures Using SMIRKS
inferred← citeshttps://doi.org/10.1002/minf.70040openalex-snapshot
SpaceExpander: An Automated System for Drafting Markush Claims to Expand Chemical Space
inferred← citeshttps://doi.org/10.1007/978-3-642-19231-9_17openalex-snapshot
Representation and Searching of Chemical-Structure Information in Patents
inferred← citeshttps://doi.org/10.1007/978-3-662-53817-3_15openalex-snapshot
Representation and Searching of Chemical Structure Information in Patents
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12345-5openalex-snapshot
Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00017-0openalex-snapshot
Artificial intelligence-driven patent analysis in drug discovery
inferred← citeshttps://doi.org/10.1016/j.wpi.2012.02.002openalex-snapshot
Deconvoluting complex patent Markush structures: A novel R-group numbering system
inferred← citeshttps://doi.org/10.1016/j.wpi.2013.05.002openalex-snapshot
Markush structure searching by information professionals in the chemical industry – Our views and expectations
inferred← citeshttps://doi.org/10.1016/j.wpi.2019.03.006openalex-snapshot
Automatic generation of Markush structures from specific compounds
inferred← citeshttps://doi.org/10.1021/ci3000387openalex-snapshot
A System for Encoding and Searching Markush Structures
inferred← citeshttps://doi.org/10.1038/s41597-024-03371-4openalex-snapshot
Exploring SureChEMBL from a drug discovery perspective
inferred← citeshttps://doi.org/10.1101/2023.11.27.568822openalex-snapshot
Exploring SureChEMBL from a drug discovery perspective
inferred← citeshttps://doi.org/10.1109/bibm.2018.8621264openalex-snapshot
Understanding Markush Structures in Chemistry Documents With Deep Learning
inferred← citeshttps://doi.org/10.1186/s13321-019-0401-4openalex-snapshot
IntelliPatent: a web-based intelligent system for fast chemical patent claim drafting
inferred← citeshttps://doi.org/10.1186/s13321-026-01172-yopenalex-snapshot
AI-assisted interpretation of Markush structures in pharmaceutical patents: a review of emerging tools, datasets, and challenges
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3685339/v1openalex-snapshot
Medicinal chemistry lens on patent data in SureChEMBL
inferred← citeshttps://doi.org/10.3389/fphar.2017.00927openalex-snapshot
Drug Repositioning in the Mirror of Patenting: Surveying and Mining Uncharted Territory
inferred← citeshttps://doi.org/10.64898/2026.04.09.716825openalex-snapshot
SpaceExpander: Automated Drafting and Evaluation of Markush Claims for Chemical Space Expansion
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