MIT Open Access Articles: Recent submissions
Now showing items 208-210 of 55784
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Annotating metabolite mass spectra with domain-inspired chemical formula transformers
(Springer Science and Business Media LLC, 2023-08-17)Metabolomics studies have identified small molecules that mediate cell signaling, competition and disease pathology, in part due to large-scale community efforts to measure tandem mass spectra for thousands of metabolite ... -
QMugs 1.1: Quantum mechanical properties of organic compounds commonly encountered in reactivity datasets
(Elsevier BV, 2023-08)Here, the Quantum Mechanical Properties of Drug-like Molecules (QMugs) dataset is expanded to facilitate its use as training data for surrogate machine learning models to predict quantum mechanical properties for tasks ... -
Behavioral flexibility is associated with changes in structure and function distributed across a frontal cortical network in macaques
(Public Library of Science (PLoS), 2020-05-26)One of the most influential accounts of central orbitofrontal cortex—that it mediates behavioral flexibility—has been challenged by the finding that discrimination reversal in macaques, the classic test of behavioral ...
