Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Drug discovery with explainable artificial intelligence

J Jiménez-Luna, F Grisoni, G Schneider - Nature Machine Intelligence, 2020 - nature.com
Deep learning bears promise for drug discovery, including advanced image analysis,
prediction of molecular structure and function, and automated generation of innovative …

Artificial intelligence in drug discovery and development

KK Mak, YH Wong, MR Pichika - Drug discovery and evaluation: safety …, 2024 - Springer
This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …

[HTML][HTML] Predicting commercially available antiviral drugs that may act on the novel coronavirus (SARS-CoV-2) through a drug-target interaction deep learning model

BR Beck, B Shin, Y Choi, S Park, K Kang - Computational and structural …, 2020 - Elsevier
The infection of a novel coronavirus found in Wuhan of China (SARS-CoV-2) is rapidly
spreading, and the incidence rate is increasing worldwide. Due to the lack of effective …

GraphDTA: predicting drug–target binding affinity with graph neural networks

T Nguyen, H Le, TP Quinn, T Nguyen, TD Le… - …, 2021 - academic.oup.com
The development of new drugs is costly, time consuming and often accompanied with safety
issues. Drug repurposing can avoid the expensive and lengthy process of drug development …

Artificial intelligence foundation for therapeutic science

K Huang, T Fu, W Gao, Y Zhao, Y Roohani… - Nature chemical …, 2022 - nature.com
Artificial intelligence (AI) is poised to transform therapeutic science. Therapeutics Data
Commons is an initiative to access and evaluate AI capability across therapeutic modalities …

Artificial intelligence for drug discovery: Resources, methods, and applications

W Chen, X Liu, S Zhang, S Chen - Molecular Therapy-Nucleic Acids, 2023 - cell.com
Conventional wet laboratory testing, validations, and synthetic procedures are costly and
time-consuming for drug discovery. Advancements in artificial intelligence (AI) techniques …