50 citations · 62 across the 3 of their papers we have counts for
4 papers
Accelerating the Development of PLGA In Situ Forming Depots Through AI-Driven Multi-Objective Optimization
Pauric Bannigan, Siddarth Chandrasekaran, Brigitte A. G. Lamers +6
Developing long-acting injectable formulations requires the simultaneous optimization of drug loading, release kinetics, viscosity, injectability, stability and other objectives. T…
MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation
Kourosh Darvish, Arjun Sohal, Abhijoy Mandal +20
Accelerated materials discovery is critical for addressing global challenges. However, developing new laboratory workflows relies heavily on real-world experimental trials, and thi…
El Agente: An Autonomous Agent for Quantum Chemistry
Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary +13
Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and cha…
Ranking over Regression for Bayesian Optimization and Molecule Selection
Gary Tom, Stanley Lo, Samantha Corapi +2
Bayesian optimization (BO) has become an indispensable tool for autonomous decision-making across diverse applications from autonomous vehicle control to accelerated drug and mater…