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李梦龙, Yan-Zhi GUO, Meng-Long LI*, Ke-Long WANG, Zhi-Ning WEN, Min-Chun LU, Li-Xia LIU, and Lin JIANG
Acta Biochimica et Biophysica Sinica 2005, 37 (11): 759-766,-0001,():
-1年11月30日
Although the sequence information on G-protein coupled receptors (GPCRs) continues to grow, many GPCRs remain orphaned (i.e. ligand specificity unknown) or poorly characterized with little structural information available, so an automated and reliable method is badly needed to facilitate the identification of novel receptors. In this study, a method of fast Fourier transform-based support vector machine has been developed for predicting GPCR subfamilies according to protein's hydrophobicity. In classifying Class B, C, D and F subfamilies, the method achieved an overall Matthew's correlation coefficient and accuracy of 0.95 and 93.3%, respectively, when evaluated using the jackknife test. The method achieved an accuracy of 100% on the Class B independent dataset. The results show that this method can classify GPCR subfamilies as well as their functional classification with high accuracy. A web server implementing the prediction is available at http://chem.scu.edu.cn/blast/Pred-GPCR.
G-protein coupled receptor, subfamily, fast Fourier transform, support vector machine, prediction
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李梦龙, 罗明亮, 李梦龙*
华学学报,2000,58(11):1409~1412,-0001,():
-1年11月30日
针对化学领域中的非线性关系特点,在常规BP网络基础上,提出了一种“杂交”型BP网络,包含两个隐层,并有输入层到输出层的直连接.它可很好地解释数据中同时存在的线性及非线性关系,效果优于多元回归法及普通BP算法。
BP网络,, 非线性校正,, 定量构效关系
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【期刊论文】Analyzing functional similarity of protein sequences with discrete wavelet transform
李梦龙, Zhi-ning Wena, , Ke-long Wanga, Meng-long Lia, b, ∗, Fu-sheng Nieb, Yi Yangc
Computational Biology and Chemistry 29(2005)220-228,-0001,():
-1年11月30日
This paper applies discrete wavelet transform (DWT) with various protein substitution models to find functional similarity of proteins with low identity. A new metric, 'S' function, based on the DWT is proposed to measure the pair-wise similarity. We also develop a segmentation technique, combined with DWT, to handle long protein sequences. The results are compared with those using the pair-wise alignment and PSI-BLAST.
Discrete wavelet transform, Protein sequence analysis, Substitution model, Functional similarity e, v, a, l, uation
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【期刊论文】Substructure Prediction from Infrared Spectra by Using Support Vector Machines
李梦龙, Jun Hong LIU, Min Chun LU, Fu Sheng NIE, Xiao Yu FENG, Meng Long LI∗
Chinese Chemical Letters Vol. 16, No.10, pp 1354-1356, 2005,-0001,():
-1年11月30日
The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.
Infrared spectra,, substructures,, support vector machines.,
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李梦龙, Xiaoli Zoua, Yuanqian Lia, ∗, Menglong Lib, Bo Zhenga, Jingguo Yangc
Talanta 62(2004)719-725,-0001,():
-1年11月30日
Simultaneous determination of tin, germanium and molybdenum in food samples has been established by flow injection-charge coupled detector (CCD) diode array detection spectrophotometry with partial least squares (PLS) algorithm. The methodwas based on the chromogenic reaction of metal ions and salicylflurone in the presence of cetyltrimethyl ammonium bromide. The overlapping spectra of these complexes are collected by CCD diode array detector and the multi-wavelength absorbance data are processed using partial least squares algorithm. The reaction conditions and analytical parameters of flow injection analysis have been investigated. The method was applied to directly determine Ge, Mo and Sn in several food samples after digestion with satisfactory results. The recoveries of spiked samples were 80.0-102.0% for tin, 86.3-92.0% for germanium and 83.2-95.2% for molybdenum, and the relative standard deviations for samples were 4.4-7.8%. Molybdenum in certified reference material of cattle liver was determined by the proposed method (n=8). The differential values between determined and guarantee values were within the given uncertain value ranges (t=1.687,P>0.05 for t-test). The samples of mung bean, kelp and pork liver were analyzed by the proposed method and inductively couple plasma-atomic emission spectroscopy (ICP-AES) method. The determination results of the two methods are in good agreement. The sampling rate is 30 samples h−1.
Germanium, Molybdenum, Tin, Flow injection analysis, CCD diode array detector, Partial least squares, Salicylflurone, Food analysis
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