Real-Time Sample-Mining and Data-Mining Approaches for the Discovery of Novel Psychoactive Substances (NPS)

In the United States, the Centers for Disease Control and Prevention (CDC) now estimates that more than 100,000 individuals are 12 dying of drug overdose deaths in 12-month periods based on medical examiner and coroner death certificate data. The understanding and reporting of these vital death statistics are rooted in accurate medicolegal death investigations, comprehensive forensic toxicology testing, and precise reporting, the latter of which is linked to drug nomenclature and taxonomy (i.e., drug names and classifications, respectively). Public health and safety officials agree that there is a need in the forensic science community for more systematic and streamlined naming conventions applied to various types of drugs, including recreational or illicit drugs (e.g., fentanyl, methamphetamine, cocaine), therapeutic drugs, and emerging drugs (e.g., novel psychoactive substances). Prior efforts by individuals and working groups have laid frameworks for how drugs are named, classified, and communicated; however, a central repository and universal resources remain lacking. This research is aimed at developing, curating, and expanding a primary source of up-to-date information regarding drug nomenclature and taxonomy with the ultimate goal of standardizing drug names and classifications with respect to forensic sciences data exchange and stakeholder practices. Several tools exist to warehouse information related to drugs, including name, chemical characteristics (e.g., structure, formula, molecular features), pharmacological aspects, scientific literature, and more. Inxight Drugs [https://drugs.ncats.io/] – a portal housed at the National Center for Advancing Translational Sciences (NCATS) and curated by the Food and Drug Administration (FDA) – is an example of one of these existing tools with groundwork already well in motion. Inxight Drugs currently lists U.S. approved drugs, markets drugs, investigational drugs, and other substances, but this system lacks thorough data and inclusion of drugs involved in forensic investigations (especially emerging drugs). Our researchers will utilize unique ingredient identifiers (UNIIs) to track drugs more accurately and compile information surrounding specific drugs, including preferred and other names, synonyms, colloquial terms, mappings, classifications by chemical properties and pharmacological effects, literature patents, scientific articles, and more, for consolidation and population of the user interface portal. This process will allow for classification and subclassification of drugs, both known and to-be-discovered, which will lead to the development of more standardized and understood processes for drug nomenclature and taxonomy. Additional resources and products will be developed to aid forensic scientists, public health officials, and other stakeholders. Successful completion of this research will lead to more proper data exchanges and communication, and a more complete and common drug language. NCA/NCF