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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

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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
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URI: https://cronfa.swan.ac.uk/Record/cronfa60424
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spelling 2023-01-06T16:47:50.3737969 v2 60424 2022-07-08 In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines b49270b9a0d580cf4f31f9a1b6c93f87 0000-0001-8255-0660 Amira Guirguis Amira Guirguis true false 2022-07-08 PHAR Journal Article Chemical Biology and Drug Design 101 1 40 51 Wiley 1747-0277 1747-0285 Recreational drugs; Designer benzodiazepines; 3D-QSAR; Scaffold replacement; MedChem; MOE® ; Forge™ 5 9 2022 2022-09-05 10.1111/cbdd.14119 COLLEGE NANME Pharmacy COLLEGE CODE PHAR Swansea University 2023-01-06T16:47:50.3737969 2022-07-08T18:43:04.7450792 Faculty of Medicine, Health and Life Sciences Swansea University Medical School - Medicine Valeria Catalani 1 Giuseppe Floresta 2 Michelle Botha 3 John Martin Corkery 4 Amira Guirguis 0000-0001-8255-0660 5 Alessandro Vento 6 Vincenzo Abbate 7 Fabrizio Schifano 8 Under embargo Under embargo 2022-07-13T10:42:57.8207400 Output 1422790 application/pdf Accepted Manuscript true 2023-07-15T00:00:00.0000000 true eng Under embargo Under embargo 2022-07-13T10:43:37.6121651 Output 303829 application/pdf Supplemental material true 2023-07-15T00:00:00.0000000 true eng
title In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
spellingShingle In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
Amira Guirguis
title_short In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
title_full In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
title_fullStr In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
title_full_unstemmed In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
title_sort In silico studies on recreational drugs: 3D-QSAR prediction of classified and de novo designer benzodiazepines
author_id_str_mv b49270b9a0d580cf4f31f9a1b6c93f87
author_id_fullname_str_mv b49270b9a0d580cf4f31f9a1b6c93f87_***_Amira Guirguis
author Amira Guirguis
author2 Valeria Catalani
Giuseppe Floresta
Michelle Botha
John Martin Corkery
Amira Guirguis
Alessandro Vento
Vincenzo Abbate
Fabrizio Schifano
format Journal article
container_title Chemical Biology and Drug Design
container_volume 101
container_issue 1
container_start_page 40
publishDate 2022
institution Swansea University
issn 1747-0277
1747-0285
doi_str_mv 10.1111/cbdd.14119
publisher Wiley
college_str Faculty of Medicine, Health and Life Sciences
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hierarchy_top_id facultyofmedicinehealthandlifesciences
hierarchy_top_title Faculty of Medicine, Health and Life Sciences
hierarchy_parent_id facultyofmedicinehealthandlifesciences
hierarchy_parent_title Faculty of Medicine, Health and Life Sciences
department_str Swansea University Medical School - Medicine{{{_:::_}}}Faculty of Medicine, Health and Life Sciences{{{_:::_}}}Swansea University Medical School - Medicine
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published_date 2022-09-05T04:18:31Z
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