Integrating artificial intelligence for drug discovery in the context of revolutionizing drug delivery

AI Visan, I Negut - Life, 2024 - mdpi.com
Drug development is expensive, time-consuming, and has a high failure rate. In recent
years, artificial intelligence (AI) has emerged as a transformative tool in drug discovery …

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 …

Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

X Lin, L Dai, Y Zhou, ZG Yu, W Zhang… - Briefings in …, 2023 - academic.oup.com
Recent advances and achievements of artificial intelligence (AI) as well as deep and graph
learning models have established their usefulness in biomedical applications, especially in …

Drug repositioning based on weighted local information augmented graph neural network

Y Meng, Y Wang, J Xu, C Lu, X Tang… - Briefings in …, 2024 - academic.oup.com
Drug repositioning, the strategy of redirecting existing drugs to new therapeutic purposes, is
pivotal in accelerating drug discovery. While many studies have engaged in modeling …

Artificial intelligence and open science in discovery of disease-modifying medicines for Alzheimer's disease

F Cheng, F Wang, J Tang, Y Zhou, Z Fu, P Zhang… - Cell Reports …, 2024 - cell.com
The high failure rate of clinical trials in Alzheimer's disease (AD) and AD-related dementia
(ADRD) is due to a lack of understanding of the pathophysiology of disease, and this deficit …

From intuition to AI: evolution of small molecule representations in drug discovery

M McGibbon, S Shave, J Dong, Y Gao… - Briefings in …, 2024 - academic.oup.com
Within drug discovery, the goal of AI scientists and cheminformaticians is to help identify
molecular starting points that will develop into safe and efficacious drugs while reducing …

Pre-training with fractional denoising to enhance molecular property prediction

Y Ni, S Feng, X Hong, Y Sun, WY Ma, ZM Ma… - Nature Machine …, 2024 - nature.com
Deep learning methods have been considered promising for accelerating molecular
screening in drug discovery and material design. Due to the limited availability of labelled …

A systematic survey of chemical pre-trained models

J **a, Y Zhu, Y Du, SZ Li - arxiv preprint arxiv:2210.16484, 2022 - arxiv.org
Deep learning has achieved remarkable success in learning representations for molecules,
which is crucial for various biochemical applications, ranging from property prediction to …

DrugChat: towards enabling ChatGPT-like capabilities on drug molecule graphs

Y Liang, R Zhang, L Zhang, P **e - arxiv preprint arxiv:2309.03907, 2023 - arxiv.org
A ChatGPT-like system for drug compounds could be a game-changer in pharmaceutical
research, accelerating drug discovery, enhancing our understanding of structure-activity …

CODENET: A deep learning model for COVID-19 detection

H Ju, Y Cui, Q Su, L Juan, B Manavalan - Computers in Biology and …, 2024 - Elsevier
Conventional COVID-19 testing methods have some flaws: they are expensive and time-
consuming. Chest X-ray (CXR) diagnostic approaches can alleviate these flaws to some …