Insilico Medicine's AI-designed drug candidate INS018_055
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A systematic review examining AI applications in drug discovery and development (2015-2025), demonstrating how machine learning and molecular modeling accelerate pharmaceutical development timelines and outcomes.
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This systematic review examines how artificial intelligence is transforming drug discovery and development across various stages, from hit identification to lead optimization. The study analyzes research published between 2015-2025 and categorizes AI applications by methodology, clinical phase, and therapeutic area. The review demonstrates that AI—particularly machine learning (40.9%) and molecular modeling/simulation (20.7%)—significantly accelerates drug discovery timelines and improves clinical outcomes. The findings highlight AI's growing role in enhancing the speed and precision of identifying drug candidates and optimizing their efficacy across multiple therapeutic domains.
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From Lab to Clinic: How Artificial Intelligence (AI) Is Reshaping Drug Discovery Timelines and Industry Outcomes - PMC
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Pharmaceuticals (Basel) . 2025 Jun 30;18(7):981. doi: 10.3390/ph18070981
From Lab to Clinic: How Artificial Intelligence (AI) Is Reshaping Drug Discovery Timelines and Industry Outcomes
Doni Dermawan
Doni Dermawan
1 Department of Applied Biotechnology, Faculty of Chemistry, Warsaw University of Technology, 00-661 Warsaw, Poland; doni.dermawan.stud@pw.edu.pl
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1 , Nasser Alotaiq
Nasser Alotaiq
2 Health Sciences Research Center (HSRC), Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 13317, Saudi Arabia
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2, *
Editor: Aldo Sena De Oliveira
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1 Department of Applied Biotechnology, Faculty of Chemistry, Warsaw University of Technology, 00-661 Warsaw, Poland; doni.dermawan.stud@pw.edu.pl
2 Health Sciences Research Center (HSRC), Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 13317, Saudi Arabia
* Correspondence: naalotaiq@imamu.edu.sa ; Tel.: +966-112037109; Fax: +966-112037110
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Aldo Sena De Oliveira : Academic Editor
Received 2025 May 8; Revised 2025 Jun 22; Accepted 2025 Jun 27; Collection date 2025 Jul.
© 2025 by the authors.
Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( https://creativecommons.org/licenses/by/4.0/ ).
PMC Copyright notice
PMCID: PMC12298131 PMID: 40732273
Abstract
Background/Objectives: Artificial intelligence (AI) is transforming drug discovery and development by enhancing the speed and
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