3 papers
cs.CE2026
Do in-silico metrics filter designed enzymes for catalysis?
Ziqi Zhang, Wei Zhang, Zhaohong Deng
Computational metrics are widely used to prioritize enzyme designs for experimental testing, yet their ability to capture catalytic function remains poorly established. Here, we sy…
cs.LG2026
SCENT: Aligning Mass Spectra with Molecular Structure for Olfactory Perception
Ziqi Zhang, Eunyeong Jin, Miguel Vasco +6
Predicting human olfactory perception from molecular structure has seen remarkable progress, yet these approaches require explicit chemical structure at inference, which is not ava…
cs.LG2025
Modeling enzyme temperature stability from sequence segment perspective
Ziqi Zhang, Shiheng Chen, Runze Yang +10
Developing enzymes with desired thermal properties is crucial for a wide range of industrial and research applications, and determining temperature stability is an essential step i…