Why machine learning fails at mass spectrometry for small molecules - Nature Metabolism

Reflections on 2024 Bio-ML Predictions: Generative Chemistry and Molecular Dynamics Challenges

The article reflects on the author's 2024 predictions about bio-ML (biological machine learning) from a 2026 perspective, focusing on genera

How to Choose the Right Machine Learning Model Architecture for Chemical Data — regression vs. neural nets

MySuppleHub: Community Supplement Encyclopedia

Analyzing Bias in Universal Machine-Learned Interatomic Potentials and Its Impact on Fine-Tuning Performance

This article examines bias in universal machine-learned interatomic potentials (uMLIPs), which are gaining interest for their transferabilit

Scientists have used a machine-learning strategy to discover antibiotics with fresh mechanisms

Scalable multiplexed gas sensor arrays with machine learning enable food classification via scent profiling

This article discusses the development of scalable multiplexed gas sensor chips that use machine learning for food classification. It explai