[PDF][PDF] Machine-Learning Model for Predicting the Rate Constant of Protein-Ligand Dissociation
MY Su, HS Liu, HX Lin, R Wang - Acta Physico-Chimica Sinica, 2020 - whxb.pku.edu.cn
… for predicting the dissociation rate constant (koff) of a ligand … measured koff values for 406
ligand molecules from literature, … Our study attempts to address the issue of predicting koff …
ligand molecules from literature, … Our study attempts to address the issue of predicting koff …
基于人工智能的药物研发: 目前的进展和未来的挑战
余泽浩， 张雷明， 张梦娜， 戴智琦， 彭成斌… - 中国药科大学 …, 2023 - jcpu.cpu.edu.cn
… the application of artificial intelligence in drug discovery, this … development, including drug
small mole⁃ cule design, virtual screening, drug repurposing, and drug property prediction, …
small mole⁃ cule design, virtual screening, drug repurposing, and drug property prediction, …
[HTML][HTML] 蛋白质工程: 从定向进化到计算设计
曲戈， 朱彤， 蒋迎迎， 吴边， 孙周通 - 生物工程学报, 2019 - cjb.ijournals.cn
… , machine learning and other artificial intelligence technologies have also been applied to
computational protein … Along the lines of protein engineering, this paper reviews the progress …
computational protein … Along the lines of protein engineering, this paper reviews the progress …
深度学习辅助药物发现的研究进展
戴青青， 余俊霖， 李国菠 - 药学进展, 2022 - pps.cpu.edu.cn
… This review focuses on the development and application of … 人工智能(artificial
intelligence,AI)概念始 于1956 年,经过半个… of InteractionNet explains protein–ligand interactions at …
intelligence,AI)概念始 于1956 年,经过半个… of InteractionNet explains protein–ligand interactions at …
人工智能在新药发现中的应用进展
黄芳， 杨红飞， 朱迅 - 药学进展, 2021 - pps.cpu.edu.cn
… development in some enterprises, and summarizes the opportunities and challenges artificial
intelligence faces in its application in new … of artificial intelligence in the field of new drug …
intelligence faces in its application in new … of artificial intelligence in the field of new drug …
深度学习在药物研发中的研究进展
廖俊， 徐洁洁， 皮志鹏， 窦智扬， 尚靖 - 药学进展, 2020 - pps.cpu.edu.cn
… and development with significant progress in the prediction of protein structure and function,
drug target, pharmacokinetic properties, drug safety and efficacy, and drug interactions, with …
drug target, pharmacokinetic properties, drug safety and efficacy, and drug interactions, with …
人工智能在药物发现中的应用与挑战
梁礼， 邓成龙， 张艳敏， 滑艺， 刘海春， 陆涛， 陈亚东 - 药学进展, 2020 - pps.cpu.edu.cn
… , and raises the problems and challenges for artificial intelligence. With its great … development,
artificial intelligence will bring new opportunities and promising future for the development …
artificial intelligence will bring new opportunities and promising future for the development …
人工智能在新药研发中的应用进展
杜晗， 吴羿霏， 杜新 - 药学进展, 2022 - pps.cpu.edu.cn
… recent years, the rapid iteration of artificial intelligence (AI) technique has brought new
opportunities for the high-quality development … the application progress of AI in new drug R&D …
opportunities for the high-quality development … the application progress of AI in new drug R&D …
[HTML][HTML] Graph Neural Networks: A Review of Methods and Applications (图神经网络: 方法与应用综述)
J Zhou, G Cui, Z Zhang, C Yang, Z Liu, L Wang, C Li… - twblogs.net
… , recent advances in network architectures, optimization techniques, and parallel computation
have enabled successful learning with them. In recent … -level artificial intelligence and the …
have enabled successful learning with them. In recent … -level artificial intelligence and the …