Journal of chemical information and modelingDrug DiscoveryNeural NetworksComputerProteinsBinding Sites
A Multimodal Drug-Target Affinity Prediction Framework with Pretrained Models and Hierarchical Graph Transformer.
Zhijun Zhang, Yuanhao Liu, Jia Qu, Zhuqing Jiao
Published: 202610.1021/acs.jcim.5c02436
Abstract
Drug-target affinity (DTA) prediction is crucial in drug discovery. It enables researchers to elucidate the complex interaction mechanisms between candidate drugs and biological targets. However, current methods have limitations in capturing global s…
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