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In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines

Valeria Catalani, Giuseppe Floresta, Michelle Botha, John Martin Corkery, Amira Guirguis Orcid Logo, Alessandro Vento, Vincenzo Abbate, Fabrizio Schifano

Chemical Biology and Drug Design, Volume: 101, Issue: 1, Pages: 40 - 51

Swansea University Author: Amira Guirguis Orcid Logo

  • Accepted Manuscript under embargo until: 15th July 2023
  • Supplemental material under embargo until: 15th July 2023

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DOI (Published version): 10.1111/cbdd.14119

Published in: Chemical Biology and Drug Design
ISSN: 1747-0277 1747-0285
Published: Wiley 2022
Online Access: Check full text

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Keywords: Recreational drugs; Designer benzodiazepines; 3D-QSAR; Scaffold replacement; MedChem; MOE® ; Forge™
College: Faculty of Medicine, Health and Life Sciences
Issue: 1
Start Page: 40
End Page: 51