Bio-Mol:Pretraining Multimodality Bioactivity Profile for Enhancing Small Molecule Property Prediction
Hiu Fung Yip, Xiao Wei, Zeming Li, Qing Ren, Dongsheng Cao, Lu Zhang, Aiping Lü
Bio-Mol improves small molecule property prediction by integrating missing bioactivity profiles through pretraining and finetuning, achieving a 5.2% higher AUROC than previous models.
bioRxiv · Nov 2, 2023 · PreprintBioinformatics