Machine learning vs. field 3D-QSAR models for serotonin 2A receptor psychoactive substances identification

Author:

Floresta Giuseppe1234ORCID,Abbate Vincenzo1234ORCID

Affiliation:

1. Department of Analytical, Environmental and Forensic Sciences

2. King's College London

3. London

4. UK

Abstract

Five QSAR models for predicting the affinity of 5-HT2AR ligands have been developed. The resulting models generate a useful tool for the investigation and identification of unclassified new psychoactive substances (NPS).

Funder

European Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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