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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 专题：四川大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Accurate Calculation of the Energy Barriers and Rate Constants of the Large-size Molecular Reaction System for Abstraction from Alkyl Hydroperoxides 期刊论文 ACTA CHIMICA SINICA, 2018, 卷号: Vol.76 No.4, 页码: 311-318 作者:  Chen Fangfang;  Sun Xiaohui;  Yao Qian;  Li Zerong;  Wang Jingbo 收藏  |  浏览/下载：3/0  |  提交时间：2019/02/25 hydrogen abstraction of alkyl hydroperoxides  reactant complex  reaction class isodesmic reaction method  rate constant  negative activation energy   Prediction of human major histocompatibility complex class II binding peptides by continuous kernel discrimination method 期刊论文 Artificial Intelligence in Medicine, 2012, 卷号: Vol.55 No.2, 页码: 107-115 作者:  Ju He;  Guobing Yang;  Hanbing Rao;  Zerong Li;  Xianping Ding 收藏  |  浏览/下载：4/0  |  提交时间：2019/02/25 Major histocompatibility complex class II peptides  Continuous kernel discrimination  Feature selection  Metropolis Monte Carlo simulated annealing   In silico identification of human pregnane X receptor activators from molecular descriptors by machine learning approaches 期刊论文 Chemometrics and Intelligent Laboratory Systems, 2012, 卷号: Vol.118, 页码: 271-279 作者:  Hanbing Rao;  Yanying Wang;  Xianyin Zeng;  Xianxiang Wang;  Yong Liu 收藏  |  浏览/下载：3/0  |  提交时间：2019/02/25 hPXR  Machine learning approaches  Applicability domain   Identification of DNA adduct formation of small molecules by molecular descriptors and machine learning methods 期刊论文 Molecular Simulation, 2012 作者:  Hanbing Rao;  Xianyin Zeng;  Yanying Wang;  Hua He;  Feng Zhu 收藏  |  浏览/下载：2/0  |  提交时间：2019/02/25 machine learning method  DNA adducts  feature selection  Monte Carlo simulated annealing  applicability domain