A VAE-LSTM model generates valid SMILES molecules conditioned on gene expression profiles, reportedly outperforming prior omics-based generators on validity and Tanimoto similarity.
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De Novo Generation of Hit-like Molecules from Gene Expression Profiles via Deep Learning
A VAE-LSTM model generates valid SMILES molecules conditioned on gene expression profiles, reportedly outperforming prior omics-based generators on validity and Tanimoto similarity.