2 papers
cs.LG2024
Pathway-Guided Optimization of Deep Generative Molecular Design Models for Cancer Therapy
Alif Bin Abdul Qayyum, Susan D. Mertins, Amanda K. Paulson +2
The data-driven drug design problem can be formulated as an optimization task of a potentially expensive black-box objective function over a huge high-dimensional and structured mo…
q-bio.MN2023
Identifying Bayesian Optimal Experiments for Uncertain Biochemical Pathway Models
Natalie M. Isenberg, Susan D. Mertins, Byung-Jun Yoon +2
Pharmacodynamic (PD) models are mathematical models of cellular reaction networks that include drug mechanisms of action. These models are useful for studying predictive therapeuti…