Publications

Browse the library of peer-reviewed publications from the Intellegens team relating to machine learning, the Alchemite™ method, and applications of ML in research.

Talk Freely, Execute Strictly: Schema-Gated Agentic AI for Flexible and Reproducible Scientific Workflows

March 11, 2026

Alchemite™ featured in review of machine learning methods for drug discovery

February 10, 2026

ChemRxiv oligonucleotides paper

The Potential of Machine Learning in Oligonucleotide Therapeutics Manufacturing

December 16, 2025

Degrees of uncertainty: conformal deep learning for non-invasive core body temperature prediction in extreme environments

November 28, 2025

Predicting concrete strength using machine learning and fresh-state measurements

June 27, 2025

Roadmap on metamaterial theory, modelling and design

April 30, 2025

Rapid Residual Stress Simulation and Distortion Mitigation in Laser Additive Manufacturing through Machine Learning

March 4, 2025

Book Chapter: ‘Adaptive Experimental Design’

September 26, 2024

Artificial intelligence (AI) futures: India-UK collaborations emerging from the 4th Royal Society Yusuf Hamied workshop

June 30, 2024

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

June 25, 2024

Imputation vs QSAR for Toxicology Data Modeling

December 14, 2023

Designing 3D woven composites

Generating candidate tow architectures for 3D woven composites

November 8, 2023

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