Markush Structures and Chemical Patents

Cosgrove, David A.

doi:10.1002/9783527665143.ch02

Methods and Principles in Medicinal Chemistry

2013

DOI: 10.1002/9783527665143.ch02

|View full text |Cite

Markush Structures and Chemical Patents

David A. Cosgrove

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2022

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Supporting the fight against the proliferation of chemical weapons through cheminformatics

Costanzi

Slavick

Abides

et al. 2022

Pure and Applied Chemistry

View full text Add to dashboard Cite

International frameworks have been put in place to foster chemical weapons nonproliferation and disarmament. These frameworks feature lists of chemicals that can be used as chemical weapons or precursors for their synthesis (CW-control lists). In these lists, chemicals of concern are described through chemical names and CAS Registry Numbers®. Importantly, in some CW-control lists, some entries, rather than specifying individual chemicals, describe families of related chemicals. Working with CW-control lists poses challenges for frontline customs and export control officers implementing these frameworks. Entries that describe families of chemicals are not easy to interpret, especially for non-chemists. Moreover, synonyms and chemical variants complicate the issue of checking CW-control lists through names and registry numbers. To ameliorate these problems, we have developed a functioning prototype of a cheminformatics tool that automates the task of assessing whether a chemical is part of a CW-control list. The tool, dubbed the Nonproliferation Cheminformatics Compliance Tool (NCCT), is a database management system (based on ChemAxon’s Instant JChem) with an embedded database of chemical structures. The key feature of the database is that it contains not only the structures of the individually listed chemicals, but also the generic structures that describe the entries relative to families of chemicals (Markush structures).

show abstract

Supporting the fight against the proliferation of chemical weapons through cheminformatics

Costanzi

Slavick

Abides

et al. 2022

Pure and Applied Chemistry

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Markush Structures and Chemical Patents

Cited by 1 publication

References 20 publications

Supporting the fight against the proliferation of chemical weapons through cheminformatics

Supporting the fight against the proliferation of chemical weapons through cheminformatics

Contact Info

Product

Resources

About