… concepts in drug discovery, mainly on the screening and design of small molecules. Note
that AI-powered drug repositioning, which repurposes existing drugs or drug combinations for …

… Drug discovery has experienced a … artificial intelligence (AI) in each of the considered
topics and predict how it could shape the future landscape of computer-assisted drug discovery. …

… This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in
drug discovery and development, encapsulating its potentials, methodologies, real-world …

… optimized to substantially speed up the R&D drug discovery process. We review below the
different subareas of the drug discovery process which have benefitted from incorporating AI. …

… of artificial intelligence in the big data era has paved the road to future rational drug
development and optimization, which will have a significant impact on drug discovery procedures …

… the implementation of artificial intelligence and deep … artificial intelligence and deep
learning advancements provide an excellent opportunity for rational drug design and discovery …

… Introduction: Drug discovery is the process through which … Phenotypic prediction is of particular
use to drug discovery and … assist in drug repurposing and speed up and optimize the drug …

… in drug discovery and propose potential future areas and research directions of XAI in drug
discovery. … Table 1 Computational approaches towards explainable AI in drug discovery and …

… widely used to develop artificial intelligence (AI) in … machine learning (ML) algorithms, DL
methods still have a long way to go to achieve recognition in small molecular drug discovery …

… the use of artificial intelligence and machine learning to augment drug discovery and …
the roles of machine learning and artificial intelligence in facilitating drug development and …