TwinSAR: An Adaptive Kernel-based Algorithm with logit-transformed Z-score Filtering for Chemical Twin Detection in Large-scale Virtual Screening
Haris Haris Kulosmanovic, Cem Uguz, Serdar Durdağı
TwinSAR detects chemical twins using stoichiometric analysis, improving virtual screening by identifying structurally diverse but compositionally similar compounds.
bioRxiv · May 15, 2026 · PreprintBioinformatics