Scientific discovery in the age of artificial intelligence

H Wang, T Fu, Y Du, W Gao, K Huang, Z Liu… - Nature, 2023 - nature.com
Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment
and accelerate research, helping scientists to generate hypotheses, design experiments …

AI in health and medicine

P Rajpurkar, E Chen, O Banerjee, EJ Topol - Nature medicine, 2022 - nature.com
Artificial intelligence (AI) is poised to broadly reshape medicine, potentially improving the
experiences of both clinicians and patients. We discuss key findings from a 2-year weekly …

On the opportunities and risks of foundation models

R Bommasani, DA Hudson, E Adeli, R Altman… - arXiv preprint arXiv …, 2021 - arxiv.org
AI is undergoing a paradigm shift with the rise of models (eg, BERT, DALL-E, GPT-3) that are
trained on broad data at scale and are adaptable to a wide range of downstream tasks. We …

A guide to machine learning for biologists

JG Greener, SM Kandathil, L Moffat… - Nature reviews Molecular …, 2022 - nature.com
The expanding scale and inherent complexity of biological data have encouraged a growing
use of machine learning in biology to build informative and predictive models of the …

The past, present, and future of antibiotics

MA Cook, GD Wright - Science translational medicine, 2022 - science.org
Antibiotics have transformed modern medicine. They are essential for treating infectious
diseases and enable vital therapies and procedures. However, despite this success, their …

The medical segmentation decathlon

M Antonelli, A Reinke, S Bakas, K Farahani… - Nature …, 2022 - nature.com
International challenges have become the de facto standard for comparative assessment of
image analysis algorithms. Although segmentation is the most widely investigated medical …

Open graph benchmark: Datasets for machine learning on graphs

W Hu, M Fey, M Zitnik, Y Dong, H Ren… - Advances in neural …, 2020 - proceedings.neurips.cc
Abstract We present the Open Graph Benchmark (OGB), a diverse set of challenging and
realistic benchmark datasets to facilitate scalable, robust, and reproducible graph machine …

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 …

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision …

L Fu, S Shi, J Yi, N Wang, Y He, Z Wu… - Nucleic acids …, 2024 - academic.oup.com
ADMETlab 3.0 is the second updated version of the web server that provides a
comprehensive and efficient platform for evaluating ADMET-related parameters as well as …

Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii

G Liu, DB Catacutan, K Rathod, K Swanson… - Nature Chemical …, 2023 - nature.com
Acinetobacter baumannii is a nosocomial Gram-negative pathogen that often displays
multidrug resistance. Discovering new antibiotics against A. baumannii has proven …