Computational predictive toxicology modeling for assessing human health risks of novel psychoactive substances (NPS): a case study
African Journal of Drug and Alcohol Studies May 29, 2025 Abolanle A. A. Kayode, Ezekiel A. Olugbogi, Omowumi T. Kayode 3 citations
The study aimed to identify the increasing health challenges posed by the rapid emergence of novel psychoactive substances (NPS) compounds. The research employed a multifaceted approach, integrating advanced computational techniques such as the Maestro Schrödinger 12.8 software suite, admeSAR, Protox II, Guasar toxicity modeling and molecular docking. A diverse dataset comprising chemical...
DOI: 10.4314/ajdas.v23i2.4 (opens in new tab)
Psychoactive substance
Human health
Toxicology
Risk analysis engineering
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