Heracles: In Silico Predictive Tools for Opioid Crisis Intervention
EMSL Project ID
60930
Abstract
This project aims to develop software tools to identify and prioritize known and potentially emerging pharmaceutical-based agents and new psychoactive substances (NPS, e.g., variants of illicit drugs). Chemicals are prioritized by predicting and validating synthesizability, activity, and metabolic/environmental breakdown products to generate libraries of known and potentially existing (but unknown) NPS that can be identified by analysis of metabolites and breakdown products in samples such as urine or wastewater.
Project Details
Start Date
2023-05-19
End Date
N/A
Status
Active
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members