The Potential Applications of Artificial Intelligence in Drug Discovery and Development

Abstract

Development of a new dug is a very lengthy and highly expensive process since only preclinical, pharmacokinetic,pharmacodynamic and toxicological studies include a multiple ofin silico, in vitro, in vivo experimentations that traditionally lastseveral years. In the present review, we briefly report someexamples that demonstrate the power of the computer-assisteddrug discovery process with some examples that are publishedand revealing the successful applications of artificial intelligence(AI) technology on this vivid area. Besides, we address thesituation of drug repositioning (repurposing) in clinicalapplications. Yet few success stories in this regard that provideus with a clear evidence that AI will reveal its great potential inaccelerating effective new drug finding. AI accelerates drugrepurposing and AI approaches are altogether necessary andinevitable tools in new medicine development. In spite of the factthat AI in drug development is still in its infancy, theadvancements in AI and machine-learning (ML) algorithms havean unprecedented potential. The AI/ML solutions driven bypharmaceutical scientists, computer scientists, statisticians,physicians and others are increasingly working together in theprocesses of drug development and are adopting AI-basedtechnologies for the rapid discovery of medicines. AI approaches,coupled with big data, are expected to substantially improve theeffectiveness of drug repurposing and finding new drugs forvarious complex human diseases