AI-powered therapeutic target discovery

FW Pun, IV Ozerov, A Zhavoronkov - Trends in pharmacological sciences, 2023 - cell.com
Disease modeling and target identification are the most crucial initial steps in drug
discovery, and influence the probability of success at every step of drug development …

Machine learning in drug discovery: a review

S Dara, S Dhamercherla, SS Jadav, CHM Babu… - Artificial intelligence …, 2022 - Springer
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …

Deep learning in drug discovery: an integrative review and future challenges

H Askr, E Elgeldawi, H Aboul Ella… - Artificial Intelligence …, 2023 - Springer
Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of develo** new drugs. Deep learning (DL) …

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 COVID-19 drug repurposing

Y Zhou, F Wang, J Tang, R Nussinov… - The Lancet Digital …, 2020 - thelancet.com
Drug repurposing or repositioning is a technique whereby existing drugs are used to treat
emerging and challenging diseases, including COVID-19. Drug repurposing has become a …

Artificial intelligence and machine learning technology driven modern drug discovery and development

C Sarkar, B Das, VS Rawat, JB Wahlang… - International Journal of …, 2023 - mdpi.com
The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …

Artificial intelligence for drug discovery: Are we there yet?

C Hasselgren, TI Oprea - Annual Review of Pharmacology and …, 2024 - annualreviews.org
Drug discovery is adapting to novel technologies such as data science, informatics, and
artificial intelligence (AI) to accelerate effective treatment development while reducing costs …

Network-based drug repurposing for novel coronavirus 2019-nCoV/SARS-CoV-2

Y Zhou, Y Hou, J Shen, Y Huang, W Martin, F Cheng - Cell discovery, 2020 - nature.com
Human coronaviruses (HCoVs), including severe acute respiratory syndrome coronavirus
(SARS-CoV) and 2019 novel coronavirus (2019-nCoV, also known as SARS-CoV-2), lead …

Learning substructure invariance for out-of-distribution molecular representations

N Yang, K Zeng, Q Wu, X Jia… - Advances in Neural …, 2022 - proceedings.neurips.cc
Molecule representation learning (MRL) has been extensively studied and current methods
have shown promising power for various tasks, eg, molecular property prediction and target …

Deep generative molecular design reshapes drug discovery

X Zeng, F Wang, Y Luo, S Kang, J Tang… - Cell Reports …, 2022 - cell.com
Recent advances and accomplishments of artificial intelligence (AI) and deep generative
models have established their usefulness in medicinal applications, especially in drug …