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Measured receptor pharmacology for 545 psychoactive compounds, snapshot of 27 September 2026

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Zenodo2026-09-28 更新2026-10-01 收录
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The clinical resurgence of psychoactive therapeutics, including psychedelics, entactogens, dissociatives, and cannabinoids, is hindered by fragmented pharmacological data of uncertain origin. Here, we present Psychedelia, an open, fully traceable knowledge platform that unifies molecular, pharmacokinetic, and clinical data for 545 psychoactive compounds. Psychedelia integrates data from PubMed, PubChem, ChEMBL, the NIMH PDSP Ki database, UniProt, the Human Protein Atlas, and ClinicalTrials.gov. It contains 3,146 affinity and potency measurements across 161 molecular targets and links 2,673 registered clinical studies. Every displayed value resolves to its source. Receptor profiles are paired with each target's regional expression to help interpret each compound’s polypharmacology. A pharmacokinetic–pharmacodynamic (PK/PD) module models receptor occupancy over time and compares it with the times at which named human studies recorded physiological, behavioral, and mental effects. The archive is updated weekly. By linking molecular target engagement to observed human effects, Psychedelia provides an auditable resource for drug discovery and for designing clinical studies. Licenses. All files are released under CC BY-SA 4.0 except activity_records_nimh_pdsp.csv. That file contains Ki determinations from the NIMH Psychoactive Drug Screening Program and may be used for non-commercial research only, with this acknowledgement: "Ki determinations were generously provided by the National Institute of Mental Health's Psychoactive Drug Screening Program, Contract # HHSN-271-2008-00025-C (NIMH PDSP). The NIMH PDSP is directed by Bryan L. Roth at the University of North Carolina at Chapel Hill and Project Officer Jamie Driscoll at NIMH, Bethesda MD, USA." See README.md.

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Zenodo
创建时间:
2026-09-28
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