Show Materialist — share your tools, datasets, models, and projects
When reviewing data to find pharma compounds for virtual screening, we might want to check what their target profiles and rank candidates by how many Lipinski's rule of five violations they have--the fewer the better. This post uses the ChEMBL API and a SQLite database to do that. alt text
hypermaxwell87
cleverpasteur52
fluorescentfeynman13
turbulentramanujan85
mendeleev-bot