Machine learning in drug discovery: a review

S Dara, S Dhamercherla, SS Jadav, CHM Babu… - … intelligence review, 2022 - Springer
issues and devise the most appropriate solution even problem was in a complex situation.
In this review, deep learning … Multi-task neural networks integrated into a platform called ‘…

Comprehensive survey of recent drug discovery using deep learning

J Kim, S Park, D Min, W Kim - International Journal of Molecular Sciences, 2021 - mdpi.com
… remaining challenges for the promising future of DL-based DTI prediction and de novo drug
design. … If this can be integrated, optimal drugs can be created from the early stages of new …

Deep learning for drug repurposing: Methods, databases, and applications

X Pan, X Lin, D Cao, X Zeng, PS Yu… - … reviews …, 2022 - Wiley Online Library
… , no review has yet summarized and integrated these methods … challenges facing future
developments of deep learning in … big data-driven pharmaceutical research and drug discovery, …

Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions

S Vatansever, A Schlessinger, D Wacker… - … research reviews, 2021 - Wiley Online Library
… , we focus on AI/ML solutions to key challenges such as BBB … the review by highlighting
challenges, limitations, and future … , the transfer learning models have been integrated into NN …

A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

TN Jarada, JG Rokne, R Alhajj - Journal of cheminformatics, 2020 - Springer
… [37] integrated drug chemical … machine learning division, deep learning has given a
significant boost and emerged as the leading technique for drug discovery and development in the …

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

A Blanco-Gonzalez, A Cabezon, A Seco-Gonzalez… - Pharmaceuticals, 2023 - mdpi.com
… and high-throughput screening. However, AI techniques such as machine learning (ML)
and … The successful use of deep learning (DL) to predict the efficacy of drug compounds with …

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

V Patel, M Shah - Intelligent Medicine, 2022 - Elsevier
… As machine learning is being adopted to tackle crucial issues in … [14-15] demonstrates
how machine learning can be integrated into G-protein coupled receptor (GPCR) ligand …

Machine learning approaches to drug response prediction: challenges and recent progress

G Adam, L Rampášek, Z Safikhani, P Smirnov… - NPJ precision …, 2020 - nature.com
discovering new biomarkers by analyzing RNA transcripts 47,108,109 . In fact, deep learning
… for cancer therapies 110 , so deep learning will have an impact on both drug discovery and …

Exploring different approaches to improve the success of drug discovery and development projects: a review

GK Kiriiri, PM Njogu, AN Mwangi - Future Journal of Pharmaceutical …, 2020 - Springer
… Many experimental drugs that were abandoned due to development issues or efficacy …
Generative deep learning networks can propose completely new molecules that exhibit the …

Artificial intelligence in drug discovery and development

KK Mak, YH Wong, MR Pichika - Drug Discovery and Evaluation: Safety …, 2023 - Springer
… real-world challenges of AI application in drug discovery, such … Reinforcement learning (RL)
is a robust machine learning … , particularly drug discovery and development (Vamathevan et …