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Journal Articles
- 2009
[j19]Yan-Ping Zhou, Li-Juan Tang, Jian Jiao, Dandan Song, Jian-Hui Jiang, Ru-Qin Yu:
Modified Particle Swarm Optimization Algorithm for Adaptively Configuring Globally Optimal Classification and Regression Trees. J. Chem. Inf. Model. 49(5): 1144-1153 (2009)- [j18]Li-Juan Tang, Wen Du, Haiyan Fu, Jian-Hui Jiang, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu:
New Variable Selection Method Using Interval Segmentation Purity with Application to Blockwise Kernel Transform Support Vector Machine Classification of High-Dimensional Microarray Data. J. Chem. Inf. Model. 49(8): 2002-2009 (2009) - 2007
- [j17]Wei-Qi Lin, Jian-Hui Jiang, Yan-Ping Zhou, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu:
Support vector machine based training of multilayer feedforward neural networks as optimized by particle swarm algorithm: Application in QSAR studies of bioactivity of organic compounds. J. Comput. Chem. 28(2): 519-527 (2007) - [j16]Li-Juan Tang, Yan-Ping Zhou, Jian-Hui Jiang, Hong-Yan Zou
, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu:
Radial Basis Function Network-Based Transform for a Nonlinear Support Vector Machine as Optimized by a Particle Swarm Optimization Algorithm with Application to QSAR Studies. J. Chem. Inf. Model. 47(4): 1438-1445 (2007) - 2006
- [j15]Yan-Ping Zhou, Jian-Hui Jiang, Wei-Qi Lin, Hong-Yan Zou, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu:
Adaptive Configuring of Radial Basis Function Network by Hybrid Particle Swarm Algorithm for QSAR Studies of Organic Compounds. J. Chem. Inf. Model. 46(6): 2494-2501 (2006) - 2005
- [j14]Wei-Qi Lin, Jian-Hui Jiang, Qi Shen, Guo-Li Shen, Ru-Qin Yu:
Optimized Block-wise Variable Combination by Particle Swarm Optimization for Partial Least Squares Modeling in Quantitative Structure-Activity Relationship Studies. J. Chem. Inf. Model. 45(2): 486-493 (2005) - [j13]Wei-Qi Lin, Jian-Hui Jiang, Qi Shen, Hai-Long Wu, Guo-Li Shen, Ru-Qin Yu:
Piecewise Hypersphere Modeling by Particle Swarm Optimization in QSAR Studies of Bioactivities of Chemical Compounds. J. Chem. Inf. Model. 45(3): 535-541 (2005) - [j12]Qi Shen, Jian-Hui Jiang, Jing-chao Tao, Guo-Li Shen, Ru-Qin Yu:
Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors. J. Chem. Inf. Model. 45(4): 1024-1029 (2005) - 2004
- [j11]Qi Shen, Jian-Hui Jiang, Chen-Xu Jiao, Wei-Qi Lin, Guo-Li Shen, Ru-Qin Yu:
Hybridized particle swarm algorithm for adaptive structure training of multilayer feed-forward neural network: QSAR studies of bioactivity of organic compounds. J. Comput. Chem. 25(14): 1726-1735 (2004) - [j10]Qi Shen, Jian-Hui Jiang, Chen-Xu Jiao, Shuang-Yan Huan, Guo-Li Shen, Ru-Qin Yu:
Optimized Partition of Minimum Spanning Tree for Piecewise Modeling by Particle Swarm Algorithm. QSAR Studies of Antagonism of Angiotensin II Antagonists. J. Chem. Inf. Model. 44(6): 2027-2031 (2004) - 2003
- [j9]Qingzhang Lü, Guo-Li Shen, Ru-Qin Yu:
A chaotic approach to maintain the population diversity of genetic algorithm in network training. Comput. Biol. Chem. 27(3): 363-371 (2003) - [j8]Nasser A. M. Barakat, Zeng-Ping Chen, Jiang-Hui Jiang, Ru-Qin Yu:
Geometrical bounding of data space and nonlinear classification of chemical data using MPGA algorithm. Comput. Biol. Chem. 27(3): 423-430 (2003) - [j7]Qingzhang Lü, Jian-Hui Jiang, Ru-Qin Yu, Guo-Li Shen:
A Genetic Algorithm Based on Prepotency Evolution Using Chaotic Initiation Used for Network Training. J. Chem. Inf. Comput. Sci. 43(4): 1132-1137 (2003) - 2002
- [j6]Hong-Ping Xie, Jian-Hui Jiang, Guo-Li Shen, Ru-Qin Yu:
Estimation of the Chemical Rank for the Three-way Data: A Principal Norm Vector Orthogonal Projection Approach. Comput. Chem. 26(2): 183-190 (2002) - [j5]Hong-Ping Xie, Jian-Hui Jiang, Hui Cui, Guo-Li Shen, Ru-Qin Yu:
A New Redundant Variable Pruning Approach - minor Latent Variable Perturbation-PLS Used for QSAR Studies on Anti-HIV Drugs. Comput. Chem. 26(6): 591-600 (2002) - [j4]Qingzhang Lu, Guo-Li Shen, Ru-Qin Yu:
Genetic training of network using chaos concept: Application to QSAR studies of vibration modes of tetrahedral halides. J. Comput. Chem. 23(14): 1357-1365 (2002) - 1994
- [j3]Li-Xian Sun, Yu-Long Xie, Xin-Hua Song, Ji-Hong Wang, Ru-Qin Yu:
Cluster Analysis by Simulated Annealing. Comput. Chem. 18(2): 103-108 (1994) - [j2]Xin-Hua Song, Min Xiao, Ru-Qin Yu:
Artificial Neural Networks Applied to Classification of Mutagenic Activity of Nitro-substituted Polycyclic Aromatic Hydrocarbons. Comput. Chem. 18(4): 391-396 (1994) - 1993
- [j1]Xin-Hua Song, Zhuo Chen, Ru-Qin Yu:
Artificial Neural Networks Applied to Odor Classification for Chemical Compounds. Comput. Chem. 17(3): 303-308 (1993)
Informal and Other Publications
- 2024
- [i2]Juan-Ni Wu, Tong Wang, Li-Juan Tang, Hai-Long Wu, Ru-Qin Yu:
TSIS: A Supplementary Algorithm to t-SMILES for Fragment-based Molecular Representation. CoRR abs/2402.02164 (2024) - 2023
- [i1]Juan-Ni Wu, Tong Wang, Yue Chen, Li-Juan Tang, Hai-Long Wu, Ru-Qin Yu:
Fragment-based t-SMILES for de novo molecular generation. CoRR abs/2301.01829 (2023)
Coauthor Index
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