4 datasets found

Formats: JSON Tags: Chemical Database

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  • ChEMBL Dataset

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

  • 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.

  • 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.

  • QM9

    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...
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