Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

BA Koscher, RB Canty, MA McDonald, KP Greenman… - Science, 2023 - science.org
A closed-loop, autonomous molecular discovery platform driven by integrated machine
learning tools was developed to accelerate the design of molecules with desired properties …

[HTML][HTML] Transforming research laboratories with connected digital twins

SD Rihm, J Bai, A Kondinski, S Mosbach, J Akroyd… - Nexus, 2024 - cell.com
To substantially expedite scientific discovery, research laboratories need to be further
automated. In this regard, the scientific community envisions an" artificial intelligence …

[HTML][HTML] Machine learning in drug delivery

AJ Gormley - Journal of Controlled Release, 2024 - Elsevier
For decades, drug delivery scientists have been performing trial-and-error experimentation
to manually sample parameter spaces and optimize release profiles through rational design …

Autonomous experimentation for molecular discovery applications

RB Canty - 2024 - dspace.mit.edu
Automated experimental systems, which provide a means to accelerate scientific research
and the discovery of application-driven materials, are specialized and limited in scope. The …