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Table 1 NPS set compounds pharmacological categorization and primary molecular target

From: Pharmacological affinity fingerprints derived from bioactivity data for the identification of designer drugs

Pharmacological category [7, 12]

Target(s)

Actives

Stimulants

NET, DAT, SERT

73

Cannabinoids

CB1, CB2

29

Serotonergic psychedelics

5-HT2A, 5-HT2C

53

Depressant—opioids

\(\mu -\) opioid

21

Depressant—benzodiazepines

GABAA

13

  1. This NPS dataset is available as a supporting file in GitHub repository: https://github.com/nina23bom/NPS-Pharmacological-profile-fingerprint-prediction-using-ML