Proud to present “Lists of Chemical Warfare Agents and Precursors from International Nonproliferation Frameworks: Structural Annotation and Chemical Fingerprint Analysis”, published in @JCIM_ACS

As an application of this study, we examine the recent updates to the Chemical Weapons Convention schedules and the Australia Group list of precursors, highlighting the relationships between the two and proposing the possible addition of further chemicals. #chemical weapons @OPCW

We also present the results of chemical fingerprinting analyses, through which we clustered the entries of the three CW-control lists under study into structurally related groups and studied the overlaps between the three lists. #chemical weapons @OPCW

To illustrate the importance of structural annotations, in the paper we discuss a discrepancy in a CW-control list covering the defoliant Agent Orange, which we identified through our curation process, and propose a solution to address it. #chemical weapons

We have curated, structurally annotated, and analyzed CW-control lists from three key international nonproliferation frameworks: the Chemical Weapons Convention, the Australia Group, and the Wassenaar Arrangement. #chemical weapons @OPCW

This work is intended to contribute to the global efforts against the proliferation of chemical weapons (CW) by facilitating the communication between scientific advisors and policymakers and enabling the work of chemists and cheminformaticians. #chemical weapons

Coauthors: @s_costanzi, @gregkoblentz, @RichardCupitt, and my two @americanu students C. Slavick and B. Hutcheson. #chemical weapons

Proud to present “Lists of Chemical Warfare Agents and Precursors from International Nonproliferation Frameworks: Structural Annotation and Chemical Fingerprint Analysis”, published in @JCIM_ACS

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