libPLS: An integrated library for partial least squares regression and linear discriminant analysis von Li, Hong-Dong, Xu, Qing-Song, Liang, Yi-Zeng

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propy: a tool to generate various modes of Chou's PseAAC von Cao, Dong-Sheng, Xu, Qing-Song, Liang, Yi-Zeng

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Baseline correction using adaptive iteratively reweighted penalized least squares von Zhang, Zhi-Min, Chen, Shan, Liang, Yi-Zeng

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ChemoPy: freely available python package for computational biology and chemoinformatics von Cao, Dong-Sheng, Xu, Qing-Song, Hu, Qian-Nan, Liang, Yi-Zeng

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Using variable combination population analysis for variable selection in multivariate calibration von Yun, Yong-Huan, Wang, Wei-Ting, Deng, Bai-Chuan, Lai, Guang-Bi, Liu, Xin-bo, Ren, Da-Bing, Liang, Yi-Zeng, Fan, Wei, Xu, Qing-Song

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An intelligent background-correction algorithm for highly fluorescent samples in Raman spectroscopy von Zhang, Zhi-Min, Chen, Shan, Liang, Yi-Zeng, Liu, Zhao-Xia, Zhang, Qi-Ming, Ding, Li-Xia, Ye, Fei, Zhou, Hua

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new strategy of outlier detection for QSAR/QSPR von Cao, Dong-Sheng, Liang, Yi-Zeng, Xu, Qing-Song, Li, Hong-Dong, Chen, Xian

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Chromatographic fingerprint analysis—a rational approach for quality assessment of traditional Chinese herbal medicine von Xie, Peishan, Chen, Sibao, Liang, Yi-zeng, Wang, Xianghong, Tian, Runtao, Upton, Roy

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Traditional Chinese medicine and separation science von Liu, Shao, Yi, Lun-Zhao, Liang, Yi-Zeng

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Model population analysis for variable selection von Li, Hong-Dong, Liang, Yi-Zeng, Xu, Qing-Song, Cao, Dong-Sheng

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Monte Carlo cross-validation for selecting a model and estimating the prediction error in multivariate calibration von Xu, Qing-Song, Liang, Yi-Zeng, Du, Yi-Ping

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Random frog: An efficient reversible jump Markov Chain Monte Carlo-like approach for variable selection with applications to gene selection and disease classification von Li, Hong-Dong, Xu, Qing-Song, Liang, Yi-Zeng

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Plasma fatty acid metabolic profiling and biomarkers of type 2 diabetes mellitus based on GC/MS and PLS-LDA von Yi, Lun-Zhao, He, Jun, Liang, Yi-Zeng, Yuan, Da-Lin, Chau, Foo-Tim

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Pretreatments of chromatographic fingerprints for quality control of herbal medicines von Xu, Cheng-Jian, Liang, Yi-Zeng, Chau, Foo-Tim, Heyden, Yvan Vander

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Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach von Cao, Dong-Sheng, Liang, Yi-Zeng, Deng, Zhe, Hu, Qian-Nan, He, Min, Xu, Qing-Song, Zhou, Guang-Hua, Zhang, Liu-Xia, Deng, Zi-xin, Liu, Shao

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Incorporating variable importance into kernel PLS for modeling the structure–activity relationship von Huang, Xin, Luo, Yi-Ping, Xu, Qing-Song, Liang, Yi-Zeng

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Identification of the composition of fatty acids in Eucommia ulmoides seed oil by fraction chain length and mass spectrometry von Zhang, Liang-xiao, Ji, Xiao-yan, Tan, Bin-bin, Liang, Yi-zeng, Liang, Nan-nan, Wang, Xiang-li, Dai, Hui

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Development of high-performance liquid chromatographic fingerprints for distinguishing Chinese Angelica from related umbelliferae herbs von Lu, Guang-Hua, Chan, Kelvin, Liang, Yi-Zeng, Leung, Kelvin, Chan, Chi-Leung, Jiang, Zhi-Hong, Zhao, Zhong-Zhen

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RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity von HU, Qian-Nan, ZHE DENG, HUANAN HU, CAO, Dong-Sheng, LIANG, Yi-Zeng

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In silico evaluation of logD7.4 and comparison with other prediction methods von Wang, Jian-Bing, Cao, Dong-Sheng, Zhu, Min-Feng, Yun, Yong-Huan, Xiao, Nan, Liang, Yi-Zeng

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