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 …

Everything is connected: Graph neural networks

P Veličković - Current Opinion in Structural Biology, 2023 - Elsevier
In many ways, graphs are the main modality of data we receive from nature. This is due to
the fact that most of the patterns we see, both in natural and artificial systems, are elegantly …

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 …

Graph representation learning in biomedicine and healthcare

MM Li, K Huang, M Zitnik - Nature Biomedical Engineering, 2022 - nature.com
Networks—or graphs—are universal descriptors of systems of interacting elements. In
biomedicine and healthcare, they can represent, for example, molecular interactions …

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 …

Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

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 …

Leveraging artificial intelligence in the fight against infectious diseases

F Wong, C de la Fuente-Nunez, JJ Collins - Science, 2023 - science.org
Despite advances in molecular biology, genetics, computation, and medicinal chemistry,
infectious disease remains an ominous threat to public health. Addressing the challenges …

Identification of antimicrobial peptides from the human gut microbiome using deep learning

Y Ma, Z Guo, B Xia, Y Zhang, X Liu, Y Yu, N Tang… - Nature …, 2022 - nature.com
The human gut microbiome encodes a large variety of antimicrobial peptides (AMPs), but
the short lengths of AMPs pose a challenge for computational prediction. Here we combined …

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 …