M3-20M is a new multi-modal molecular dataset with over 20 million molecules, and the paper reports improved molecule generation and property prediction with it.
New substructure filters for removal of pan assay interference compounds (pains) from screening libraries and for their exclusion in bioassays
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M$^{3}$-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery
M3-20M is a new multi-modal molecular dataset with over 20 million molecules, and the paper reports improved molecule generation and property prediction with it.