We critically review single-cell foundation models applied for perturbation effect prediction, examining how various factors impact downstream performance and applicability.
The characterization of human toxicity and freshwater ecotoxicity impacts of per-and polyfluoroalkyl substances (PFAS) remains challenging in Life Cycle Impact Assessment (LCIA), due to limited PFASspecific data and the practical...
The success of machine learning (ML) in drug discovery relies on modeling and evaluation strategies that accurately reflect the conditions under which compounds are tested in experimental practice. However, we...
The Raman pipeline jointly optimizes spectral preprocessing and classifier settings in a single search space, from raw spectra to predictions, for objective, reproducible and leakage-aware Raman classification.
A hybrid continuum/Monte Carlo method solves radiation chemical kinetics thousands of times faster than competitor methods at unprecedentedly high dose depositions by deterministically evolving stochastically placed reaction packets in time.
