Topic: MACCS

Glioblastoma (GBM) is a cancer of the brain that has a high mortality and morbidity rate. In the current study, we aimed to find potential small molecules (50-1500 Dalton) with antiproliferative effects on the human U-87 GBM cell line using a machine learning (ML) based screening tool. A list of 519 small molecules that have been tested regarding their antiproliferative effect on the U-87 cell line in MTT assay after 72 hours was obtained from the ChEMBL database. Then feature extraction was conducted using Molecular ACCess Systems keys (MACCS) and Morgan fingerprints. Then, molecules in the l