AI In Chemical Discovery: Why Data Generation Matters More Than Model Architecture

For R&D leaders evaluating AI investments, I’d offer one piece of advice: Before spending more on models, look hard at your ...
Hosted on MSN

Computational chemistry unlocked: A record-breaking dataset to train AI models has launched

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...
Nature

Exclusive: Start-up FutureHouse debuts powerful AI ‘reasoning model’ for science

As artificial intelligence (AI) tools shake up the scientific workflow, Sam Rodriques dreams of a more systemic transformation. His start-up company, FutureHouse in San Francisco, California, aims to ...
C&EN

Can we predict which chemistry research projects will pay off?

Both funders and researchers would find it useful to know which areas of inquiry are most likely to lead to important findings. A new metrics-based approach aims to analyze paper citations, patents, ...