Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 3 datasets found Groups: Drug Discovery Formats: JSON Filter Results DrugBank The dataset used in the paper is a sparse user-item interaction matrix, a protein-protein similarity matrix, and a drug-drug similarity matrix. Dataset JSON ChEMBL database The dataset used in this paper is the ChEMBL database, which contains drugs/molecules and their binding information for proteins Lyn, Lck, and Src. Dataset JSON ChEMBL The ChEMBL dataset is a large collection of bioactive molecules, with over 10 million molecules, that can be used for various machine learning tasks, including molecular design. Dataset JSON
