4 datasets found

The dataset consists of all small-molecules from the ChEMBL database that were of length 500 tokens or less.

The dataset used in the paper is a sparse user-item interaction matrix, a protein-protein similarity matrix, and a drug-drug similarity matrix.

The dataset used in this paper is the ChEMBL database, which contains drugs/molecules and their binding information for proteins Lyn, Lck, and Src.

A dataset of small molecules for benchmarking molecule generation methods. The dataset consists of fingerprints of the molecules, and the goal is to predict the original...