BioinformaticsbioRxivPreprint
ChemXTree: A Tree-enhanced Classification Approach to Small-molecule Drug Discovery
Yuzhi Richie Xu, Xinxin Liu, Jiankai Ge…·John Z.H. Zhang
ChemXTree improves small-molecule drug discovery by integrating tree-based algorithms with a graph model, showing superior performance in feature optimization on benchmark datasets.
DOI 10.1101/2023.11.28.568989