Anneli Kruve

Candidate Structure Prioritization in Non-Target Screening with Predicted Collision Cross-Sections and Uncertainty Quantification

Abstract Candidate structure prioritization in non-target screening (NTS) can be performed using collision cross-sections (CCSs) predicted by a machine-learning (ML) model, with a threshold on the relative difference between measured and in silico CCSs. Such thresholds generally...

Enzymatic degradation of conjugated polymer thin films for electrochemical transistors

Degradable imine linkers within the polymer backbone enabled acid-triggered organic mixed ionic–electronic conductors (OMIECs). Yet, for many bioelectronic applications, OMIECs must work in direct contact with physiological fluids, making it challenging to achieve both excellent...