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MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

机译：MONN：一种多目标神经网络，用于预测化合物和蛋白质之间的成对非共价相互作用和结合亲和力

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Shuya Li; Fangping Wan; Hantao Shu; Tao Jiang; Dan Zhao; Jianyang Zeng;
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年度 2019
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1. Predicting the binding affinities of compound–protein interactions by random forest using network topology features [J] . Zhanchao Li, Yang Wang, Yun Xie, Analytical methods . 2018,第34期

机译：使用网络拓扑特征预测随机森林对化合物与蛋白质相互作用的结合亲和力
2. Cost function network-based design of protein-protein interactions: predicting changes in binding affinity [J] . Viricel Clement, de Givry Simon, Schiex Thomas, Bioinformatics . 2018,第15期

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3. Synergistic use of compound properties and docking scores in neural network modeling of CYP2D6 binding: Predicting affinity and conformational sampling [J] . Bazeley PS, Prithivi S, Struble CA, Journal of chemical information and modeling . 2006,第6期

机译：CYP2D6结合的神经网络建模中化合物特性和对接分数的协同使用：预测亲和力和构象采样
4. MONN: A Multi-objective Neural Network for Predicting Pairwise Non-covalent Interactions and Binding Affinities Between Compounds and Proteins [C] . Shuya Li, Fangping Wan, Hantao Shu, Annual International Conference on Research in Computational Molecular Biology . 2020

机译：MONN：预测化合物和蛋白质之间的成对非共价相互作用和结合亲和力的多目标神经网络
5. Applications of high-performance affinity chromatography in the study of drug-protein binding: Examination of interactions between phenytoin and related compounds with human serum albumin. [D] . Ohnmacht, Corey M. 2007

机译：高效亲和色谱在药物-蛋白质结合研究中的应用：检查苯妥英钠和相关化合物与人血清白蛋白之间的相互作用。
6. DeepAffinity: interpretable deep learning of compound–protein affinity through unified recurrent and convolutional neural networks [O] . Mostafa Karimi, Di Wu, Zhangyang Wang, -1

机译：Deepaftity：通过统一的经常性和卷积神经网络解释复合蛋白亲和力的可解释深度学习
7. Cost function network-based design of protein–protein interactions: predicting changes in binding affinity [O] . Clément Viricel, Simon de Givry, Thomas Schiex, 2018

机译：成本函数基于网络的蛋白质 - 蛋白质相互作用设计：预测结合亲和力的变化

MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

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