The Role of AI in Drug Discovery
<p dir="ltr">The emergence of Artificial Intelligence (AI) in drug discovery marks a pivotal shift in pharmaceutical research, blending sophisticated computational techniques with conventional scientific exploration to break through enduring obstacles. This review paper elucidates th...
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2024
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| _version_ | 1864513542105858048 |
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| author | M. K. G. Abbas (18021646) |
| author2 | Abrar Rassam (21842855) Fatima Karamshahi (17726388) Rehab Abunora (21842858) Maha Abouseada (17885882) |
| author2_role | author author author author |
| author_facet | M. K. G. Abbas (18021646) Abrar Rassam (21842855) Fatima Karamshahi (17726388) Rehab Abunora (21842858) Maha Abouseada (17885882) |
| author_role | author |
| dc.creator.none.fl_str_mv | M. K. G. Abbas (18021646) Abrar Rassam (21842855) Fatima Karamshahi (17726388) Rehab Abunora (21842858) Maha Abouseada (17885882) |
| dc.date.none.fl_str_mv | 2024-05-12T15:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1002/cbic.202300816 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/The_Role_of_AI_in_Drug_Discovery/29716382 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Information and computing sciences Artificial intelligence Data management and data science Philosophy and religious studies Applied ethics Artificial Intelligence (AI) Drug Discovery Computational Drug Design Polypharmacology Chemical Synthesis Drug Repurposing |
| dc.title.none.fl_str_mv | The Role of AI in Drug Discovery |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">The emergence of Artificial Intelligence (AI) in drug discovery marks a pivotal shift in pharmaceutical research, blending sophisticated computational techniques with conventional scientific exploration to break through enduring obstacles. This review paper elucidates the multifaceted applications of AI across various stages of drug development, highlighting significant advancements and methodologies. It delves into AI′s instrumental role in drug design, polypharmacology, chemical synthesis, drug repurposing, and the prediction of drug properties such as toxicity, bioactivity, and physicochemical characteristics. Despite AI′s promising advancements, the paper also addresses the challenges and limitations encountered in the field, including data quality, generalizability, computational demands, and ethical considerations. By offering a comprehensive overview of AI′s role in drug discovery, this paper underscores the technology‘s potential to significantly enhance drug development, while also acknowledging the hurdles that must be overcome to fully realize its benefits.</p><h2>Other Information</h2><p dir="ltr">Published in: ChemBioChem<br>License: <a href="http://creativecommons.org/licenses/by/4.0/" target="_blank">http://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1002/cbic.202300816" target="_blank">https://dx.doi.org/10.1002/cbic.202300816</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_9290f7cbeeecbbda19f6461d79ed89d4 |
| identifier_str_mv | 10.1002/cbic.202300816 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/29716382 |
| publishDate | 2024 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | The Role of AI in Drug DiscoveryM. K. G. Abbas (18021646)Abrar Rassam (21842855)Fatima Karamshahi (17726388)Rehab Abunora (21842858)Maha Abouseada (17885882)Biomedical and clinical sciencesPharmacology and pharmaceutical sciencesInformation and computing sciencesArtificial intelligenceData management and data sciencePhilosophy and religious studiesApplied ethicsArtificial Intelligence (AI)Drug DiscoveryComputational Drug DesignPolypharmacologyChemical SynthesisDrug Repurposing<p dir="ltr">The emergence of Artificial Intelligence (AI) in drug discovery marks a pivotal shift in pharmaceutical research, blending sophisticated computational techniques with conventional scientific exploration to break through enduring obstacles. This review paper elucidates the multifaceted applications of AI across various stages of drug development, highlighting significant advancements and methodologies. It delves into AI′s instrumental role in drug design, polypharmacology, chemical synthesis, drug repurposing, and the prediction of drug properties such as toxicity, bioactivity, and physicochemical characteristics. Despite AI′s promising advancements, the paper also addresses the challenges and limitations encountered in the field, including data quality, generalizability, computational demands, and ethical considerations. By offering a comprehensive overview of AI′s role in drug discovery, this paper underscores the technology‘s potential to significantly enhance drug development, while also acknowledging the hurdles that must be overcome to fully realize its benefits.</p><h2>Other Information</h2><p dir="ltr">Published in: ChemBioChem<br>License: <a href="http://creativecommons.org/licenses/by/4.0/" target="_blank">http://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1002/cbic.202300816" target="_blank">https://dx.doi.org/10.1002/cbic.202300816</a></p>2024-05-12T15:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1002/cbic.202300816https://figshare.com/articles/journal_contribution/The_Role_of_AI_in_Drug_Discovery/29716382CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/297163822024-05-12T15:00:00Z |
| spellingShingle | The Role of AI in Drug Discovery M. K. G. Abbas (18021646) Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Information and computing sciences Artificial intelligence Data management and data science Philosophy and religious studies Applied ethics Artificial Intelligence (AI) Drug Discovery Computational Drug Design Polypharmacology Chemical Synthesis Drug Repurposing |
| status_str | publishedVersion |
| title | The Role of AI in Drug Discovery |
| title_full | The Role of AI in Drug Discovery |
| title_fullStr | The Role of AI in Drug Discovery |
| title_full_unstemmed | The Role of AI in Drug Discovery |
| title_short | The Role of AI in Drug Discovery |
| title_sort | The Role of AI in Drug Discovery |
| topic | Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Information and computing sciences Artificial intelligence Data management and data science Philosophy and religious studies Applied ethics Artificial Intelligence (AI) Drug Discovery Computational Drug Design Polypharmacology Chemical Synthesis Drug Repurposing |