William Chau
PhD
TODO
Publications within the group (2)
On the Selectivity of Generative Models in Structure-Based Drug Design / NeurIPS / '26
Introduces SelectBench, a comprehensive benchmark assessing the selectivity of generative structure-based drug design (SBDD) models. Evaluates nine representative models across literature case studies, safety panels, and large-scale target pairs to quantify off-target discrimination.
Ella Miray Rajaonson, Jungyoon Lee, William Chau, Alan Aspuru-Guzik, Benjamin Sanchez-Lengeling, Dominique Beaini, Kirill Neklyudov, Marta Skreta
Do protein representations encode variant function? Diagnosing residue-level protein attributions via embedding-space gradients / bioRxiv / '26
Introduces IGLOO, a diagnostic framework that evaluates whether residue-level embedding gradients from protein language models faithfully capture functional importance against synthetic and experimental fitness landscapes.
Rana A. Barghout, Shengqing Wu, William Chau, José Manuel Barraza-Chavez, Paola Driza, Radhakrishnan Mahadevan, Benjamin Sanchez-Lengeling