BioinformaticsbioRxivPreprint
LigEGFR: Spatial graph embedding and molecular descriptors assisted bioactivity prediction of ligand molecules for epidermal growth factor receptor on a cell line-based dataset
Puri Virakarin, Natthakan Saengnil, Bundit Boonyarit…·Sarana Y. Nutanong
This paper develops a deep learning model called LigEGFR to predict pIC50 and classify hit compounds for EGFR-targeted drug discovery using a cell line-based dataset.
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