Machine learning helps predict drugs’ favorite subcellular haunts

Machine learning helps predict drugs’ favorite subcellular haunts

Small molecule drugs, such as those used for cancer treatment, tend to concentrate in specific regions of the cell, and can bind to things besides their intended target. These collective, weak interactions may detain a significant percentage of drug molecules. New research from the Young lab trained a machine learning model to predict where a drug will concentrate based on its chemical features, which may be relevant to understanding many cellular processes and to the design of safe and effective drugs.

September 27, 2023