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A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling 期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:  Wang, Dingyan;  Yu, Jie;  Chen, Lifan;  Li, Xutong;  Jiang, Hualiang
收藏  |  浏览/下载:61/0  |  提交时间:2021/11/04
Dynamic Intermediate Profiles of Zeolite Catalyzed Methanol to Olefins Revealed by Reactive Molecular Dynamics 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 2, 页码: 1677-1690
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li;  Ge, Wei
收藏  |  浏览/下载:52/0  |  提交时间:2021/03/29
Universal nanohydrophobicity predictions using virtual nanoparticle library 期刊论文
JOURNAL OF CHEMINFORMATICS, 2019, 卷号: 11, 页码: -
作者:  Wang, Wenyi;  Yan, Xiliang;  Zhao, Linlin;  Russo, Daniel P.;  Wang, Shenqing
收藏  |  浏览/下载:9/0  |  提交时间:2020/10/22
Raman chemical feature extraction for quality control of dairy products. 期刊论文
Journal of Dairy Science, 2019, 卷号: Vol.102 No.1, 页码: 68-76
作者:  Zhang, ZY;  Gui, DD;  Sha, M;  Liu, J;  Wang, HY
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/13
Universal nanohydrophobicity predictions using virtual nanoparticle library 期刊论文
JOURNAL OF CHEMINFORMATICS, 2019, 卷号: 11, 期号: 1
作者:  Wang, Wenyi;  Yan, Xiliang;  Zhao, Linlin;  Russo, Daniel P.;  Wang, Shenqing
收藏  |  浏览/下载:12/0  |  提交时间:2019/12/11
Inferring potential small molecule–miRNA association based on triple layer heterogeneous network 期刊论文
Journal of Cheminformatics, 2018, 卷号: 10, 期号: 1
作者:  Qu,Jia;  Chen,Xing;  Sun,Ya-Zhou;  Li,Jian-Qiang;  Ming,Zhong
收藏  |  浏览/下载:17/0  |  提交时间:2018/07/30
Chemical Diversity in the G Protein-Coupled Receptor Superfamily 期刊论文
TRENDS IN PHARMACOLOGICAL SCIENCES, 2018, 卷号: 39, 期号: 5, 页码: 494-512
作者:  Vass, Marton;  Kooistra, Albert J.;  Yang, Dehua;  Stevens, Raymond C.;  Wang, Ming-Wei
收藏  |  浏览/下载:40/0  |  提交时间:2019/01/08
Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling 期刊论文
JOURNAL OF CHEMINFORMATICS, 2018, 卷号: 10
作者:  Wu, Dingfeng;  Cao, Zhiwei;  Qiu, Jingxuan;  Qiu, Tianyi
收藏  |  浏览/下载:11/0  |  提交时间:2019/12/05
A neural network approach to chemical and gene/protein entity recognition in patents 期刊论文
JOURNAL OF CHEMINFORMATICS, 2018, 卷号: 10, 页码: 65
作者:  Luo, Ling;  Yang, Zhihao;  Yang, Pei;  Zhang, Yin;  Wang, Lei
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/02
PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions 期刊论文
Journal of Cheminformatics, 2018, 卷号: 10, 期号: 1, 页码: 16
作者:  Dong, Jie;  Yao, Zhi-Jiang;  Zhang, Lin;  Luo, Feijun;  Lin, Qinlu
收藏  |  浏览/下载:6/0  |  提交时间:2019/12/03


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