蛋白-配体
weixin_40248634
清华大学计算机硕士
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OnionNet
OnionNet: a multiple-layer inter-molecular contact based convolutional neural network for protein-ligand binding affinity prediction)摘要:介绍材料和方法特征化蛋白-配体复合物特征矩阵Dataset preparation深度学习CNNloss function模型评...原创 2020-06-18 17:37:11 · 753 阅读 · 1 评论 -
Predicting Drug−Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded
Predicting Drug−Target Interaction Using a Novel Graph Neural Network with 3D Structure Embedded Graph Representation 笔记摘要methodgraph neural network嵌入蛋白配体复合物的结构信息摘要提出一种基于图神经网络的预测药物–靶向相互作用的深度学习方法,介绍...原创 2020-06-18 17:36:21 · 569 阅读 · 1 评论