The role of AI in drug discovery: challenges, opportunities, and strategies

A Blanco-Gonzalez, A Cabezon, A Seco-Gonzalez… - Pharmaceuticals, 2023 - mdpi.com
Artificial intelligence (AI) has the potential to revolutionize the drug discovery process,
offering improved efficiency, accuracy, and speed. However, the successful application of AI …

An updated review of computer‐aided drug design and its application to COVID‐19

AB Gurung, MA Ali, J Lee, MA Farah… - BioMed research …, 2021 - Wiley Online Library
The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …

The impact of big data analytics and artificial intelligence on green supply chain process integration and hospital environmental performance

S Benzidia, N Makaoui, O Bentahar - Technological forecasting and social …, 2021 - Elsevier
Big data analytics and artificial intelligence (BDA-AI) technologies have attracted increasing
interest in recent years from academics and practitioners. However, few empirical studies …

[HTML][HTML] Artificial intelligence and machine learning in drug discovery and development

V Patel, M Shah - Intelligent Medicine, 2022 - Elsevier
The current rise of artificial intelligence and machine learning has been significant. It has
reduced the human workload improved quality of life significantly. This article describes the …

Drug repositioning: new approaches and future prospects for life-debilitating diseases and the COVID-19 pandemic outbreak

ZY Low, IA Farouk, SK Lal - Viruses, 2020 - mdpi.com
Traditionally, drug discovery utilises a de novo design approach, which requires high cost
and many years of drug development before it reaches the market. Novel drug development …

Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery

MK Tripathi, A Nath, TP Singh, AS Ethayathulla… - Molecular Diversity, 2021 - Springer
The accumulation of massive data in the plethora of Cheminformatics databases has made
the role of big data and artificial intelligence (AI) indispensable in drug design. This has …

The new era of drug discovery: The power of computer-aided drug design (CADD)

IJS Nascimento, TM de Aquino… - Letters in Drug …, 2022 - ingentaconnect.com
Drug design and discovery is a process that requires high financial costs and is
timeconsuming. For many years, this process focused on empirical pharmacology. However …

A comprehensive review on recent approaches for cancer drug discovery associated with artificial intelligence

S Pandiyan, L Wang - Computers in Biology and Medicine, 2022 - Elsevier
Through the revolutionization of artificial intelligence (AI) technologies in clinical research,
significant improvement is observed in diagnosis of cancer. Utilization of these AI …

Self-supervised learning with chemistry-aware fragmentation for effective molecular property prediction

A Xie, Z Zhang, J Guan, S Zhou - Briefings in Bioinformatics, 2023 - academic.oup.com
Molecular property prediction (MPP) is a crucial and fundamental task for AI-aided drug
discovery (AIDD). Recent studies have shown great promise of applying self-supervised …

Machine Learning Empowering Drug Discovery: Applications, Opportunities and Challenges

X Qi, Y Zhao, Z Qi, S Hou, J Chen - Molecules, 2024 - mdpi.com
Drug discovery plays a critical role in advancing human health by developing new
medications and treatments to combat diseases. How to accelerate the pace and reduce the …