Integration of Computational Docking into Anti-Cancer Drug Response Prediction Models.

ABSTRACT: Cancer is a heterogeneous disease in that tumors of the same histology type can respond differently to a treatment. Anti-cancer drug response prediction is of paramount importance for both drug development and patient treatment design. Although various computational methods and data have been used to develop drug response prediction models, it remains a challenging problem due to the complexities of cancer mechanisms and cancer-drug interactions. To better characterize the interaction between cancer and drugs, we investigate the feasibility of integrating computationally derived features of molecular mechanisms of action into prediction models. Specifically, we add docking scores of drug molecules and target proteins in combination with cancer gene expressions and molecular drug descriptor

SUBMITTER: Narykov O 

PROVIDER: S-EPMC10777918 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature