A better optimizer needs a trustworthy test
RECOB puts algorithm rankings through two different checks—and shows why a stable virtual winner is only part of the evidence for a laboratory choice.
Questions across chemistry.
Explore AI through the reactions, molecules, materials, and methods it touches.
What a formulation robot can learn from yesterday’s experiments
An evidence-ablation experiment makes a persuasive case for laboratory memory—while matched campaigns reveal why the best sample is only part of the result.
What makes a chemistry lab self-driving?
A new optimizer sharpens experimental choices. Two robot studies show why choices are only part of autonomy.
From a literature procedure to a robotic test
A chemputation workflow tests the journey from extraction to physical execution.
Choosing a plate, not just an experiment
Minerva makes parallel reaction optimisation a problem of batches and competing objectives. The analyst still has to define what success means.
Few-shot selectivity still needs a history
A meta-learning study asks how prior reaction data can help classify asymmetric hydrogenations when a new task has few examples.
Finding an enzyme for the substrate in hand
CATNIP links measured reaction compatibility to chemical and protein similarity. Its useful output is a ranked starting point for testing.
When a highlighted atom becomes a hypothesis
An arene-selectivity model offers clues about where chemistry happens. A clue becomes more useful when a separate calculation can challenge it.