Xiaojun Yao

Publication Activity (10 Years)

Years Active: 2001-2024
Publications (10 Years): 49

Top Topics

Molecular Dynamics

Machine Learning

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

Comput. Biol. Medicine

Publications

Shuo Liu, Jialiang Yu, Ningxi Ni, Zidong Wang, Mengyun Chen, Yuquan Li, Chen Xu, Yahao Ding, Jun Zhang, Xiaojun Yao, Huanxiang Liu
Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features. J. Chem. Inf. Model. 64 (14) (2024)
Pengyong Li, Zhengxiang Jiang, Tianxiao Liu, Xinyu Liu, Hui Qiao, Xiaojun Yao
Improving drug response prediction via integrating gene relationships with deep learning. Briefings Bioinform. 25 (3) (2024)
Rui Wang, Zhecheng Zhou, Xiaonan Wu, Xin Jiang, Linlin Zhuo, Mingzhe Liu, Hao Li, Xiangzheng Fu, Xiaojun Yao
An Effective Plant Small Secretory Peptide Recognition Model Based on Feature Correction Strategy. J. Chem. Inf. Model. 64 (7) (2024)
Huian Jin, Xiaojun Yao, Qixin Wei, Sugang Zhou, Yuan Zhang, Jie Chen, Zhipeng Yu
Ice Thickness Assessment of Non-Freshwater Lakes in the Qinghai-Tibetan Plateau Based on Unmanned Aerial Vehicle-Borne Ice-Penetrating Radar: A Case Study of Qinghai Lake and Gahai Lake. Remote. Sens. 16 (6) (2024)
Qianqian Wang, Mingyu Zhang, Aohan Li, Xiaojun Yao, Yingqing Chen
Unraveling the allosteric inhibition mechanism of PARP-1 CAT and the D766/770A mutation effects via Gaussian accelerated molecular dynamics and Markov state model. Comput. Biol. Medicine 168 (2024)
Huiying Liu, Xiangzheng Fu, Haiting Chen, Jun Shang, Haoyu Zhou, Wang Zhe, Xiaojun Yao
Developing explainable models for lncRNA-Targeted drug discovery using graph autoencoders. Future Gener. Comput. Syst. 160 (2024)
Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Tingjun Hou
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. J. Chem. Inf. Model. 64 (4) (2024)
Yanan Tian, Chenbin Wang, Ruiqiang Lu, Henry H. Y. Tong, Xiaoqing Gong, Jiayue Qiu, Shaoliang Peng, Xiaojun Yao, Huanxiang Liu
3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion. Future Gener. Comput. Syst. 161 (2024)
Tao Wang, Wentao Wang, Xin Jiang, Jiaxing Mao, Linlin Zhuo, Mingzhe Liu, Xiangzheng Fu, Xiaojun Yao
ML-NPI: Predicting Interactions between Noncoding RNA and Protein Based on Meta-Learning in a Large-Scale Dynamic Graph. J. Chem. Inf. Model. 64 (7) (2024)
Qingqing Du, Gao Tu, Yan Qian, Jingyi Yang, Xiaojun Yao, Weiwei Xue
Unbiased molecular dynamics simulation of a first-in-class small molecule inhibitor binds to oncostatin M. Comput. Biol. Medicine 155 (2023)
Cong Zhang, Xiaojun Yao, Suju Li, Longfei Liu, Te Sha, Yuan Zhang
Glacier Change in the West Kunlun Main Peak Area from 2000 to 2020. Remote. Sens. 15 (17) (2023)
Guoyu Wang, Xiaohua Hao, Xiaojun Yao, Jian Wang, Hongyi Li, Rensheng Chen, Zhangwen Liu
Simulations of Snowmelt Runoff in a High-Altitude Mountainous Area Based on Big Data and Machine Learning Models: Taking the Xiying River Basin as an Example. Remote. Sens. 15 (4) (2023)
Yaguo Gong, Wei Ding, Panpan Wang, Qibiao Wu, Xiaojun Yao, Qingxia Yang
Evaluating Machine Learning Methods of Analyzing Multiclass Metabolomics. J. Chem. Inf. Model. 63 (24) (2023)
Ruiqiang Lu, Jun Wang, Pengyong Li, Yuquan Li, Shuoyan Tan, Yiting Pan, Huanxiang Liu, Peng Gao, Guotong Xie, Xiaojun Yao
Improving drug-target affinity prediction via feature fusion and knowledge distillation. Briefings Bioinform. 24 (3) (2023)
Jinhang Wei, Linlin Zhuo, Shiyao Pan, Xinze Lian, Xiaojun Yao, Xiangzheng Fu
HeadTailTransfer: An efficient sampling method to improve the performance of graph neural network method in predicting sparse ncRNA-protein interactions. Comput. Biol. Medicine 157 (2023)
Zhe Wang, Haiyang Zhong, Jintu Zhang, Peichen Pan, Dong Wang, Huanxiang Liu, Xiaojun Yao, Tingjun Hou, Yu Kang
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets. J. Chem. Inf. Model. 63 (21) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huanxiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings Bioinform. 24 (1) (2023)
Xiaojun Yao, Sugang Zhou, Meiping Sun, Hongyu Duan, Yuan Zhang
Surging Glaciers in High Mountain Asia between 1986 and 2021. Remote. Sens. 15 (18) (2023)
Jinhang Wei, Linlin Zhuo, Zhecheng Zhou, Xinze Lian, Xiangzheng Fu, Xiaojun Yao
GCFMCL: predicting miRNA-drug sensitivity using graph collaborative filtering and multi-view contrastive learning. Briefings Bioinform. 24 (4) (2023)
Shuting Niu, Meiping Sun, Guoyu Wang, Weisheng Wang, Xiaojun Yao, Cong Zhang
Glacier Change and Its Influencing Factors in the Northern Part of the Kunlun Mountains. Remote. Sens. 15 (16) (2023)
Xiaodan Yin, Xiaorui Wang, Yuquan Li, Jike Wang, Yuwei Wang, Yafeng Deng, Tingjun Hou, Huanxiang Liu, Pei Luo, Xiaojun Yao
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules. J. Chem. Inf. Model. 63 (20) (2023)
Yuwei Yang, Chang-Yu Hsieh, Yu Kang, Tingjun Hou, Huanxiang Liu, Xiaojun Yao
Deep Generation Model Guided by the Docking Score for Active Molecular Design. J. Chem. Inf. Model. 63 (10) (2023)
An Huang, Xiaolan Xie, Xiaojun Yao, Huanxiang Liu, Xiaoqi Wang, Shaoliang Peng
HF-DDI: Predicting Drug-Drug Interaction Events Based on Multimodal Hybrid Fusion. J. Comput. Biol. 30 (9) (2023)
Yuan Zhang, Jun Zhao, Xiaojun Yao, Hongyu Duan, Jianxia Yang, Wenlong Pang
Inventory of Glacial Lake in the Southeastern Qinghai-Tibet Plateau Derived from Sentinel-1 SAR Image and Sentinel-2 MSI Image. Remote. Sens. 15 (21) (2023)
Yuwei Yang, Zhenxing Wu, Xiaojun Yao, Yu Kang, Tingjun Hou, Chang-Yu Hsieh, Huanxiang Liu
Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. J. Chem. Inf. Model. 62 (13) (2022)
Weitong Zhang, Wangqi Tian, Yifan Wang, Xiaojie Jin, Hui Guo, Yuwei Wang, Yuping Tang, Xiaojun Yao
Explore the mechanism and substance basis of Mahuang FuziXixin Decoction for the treatment of lung cancer based on network pharmacology and molecular docking. Comput. Biol. Medicine 151 (Part) (2022)
Yongpeng Gao, Shiyin Liu, Miaomiao Qi, Xiaojun Yao, Yu Zhu, Fuming Xie, Kunpeng Wu, Saifullah Muhammad
The Evolution of the Glacier Surges in the Tuanjie Peak, the Qilian Mountains. Remote. Sens. 14 (4) (2022)
Hongyu Duan, Xiaojun Yao, Dahong Zhang, Huian Jin, Qixin Wei
Long-Term Temporal and Spatial Monitoring of Cladophora Blooms in Qinghai Lake Based on Multi-Source Remote Sensing Images. Remote. Sens. 14 (4) (2022)
Jiayu Hu, Xiaojun Yao, Hongyu Duan, Yuan Zhang, Yu Wang, Tongyu Wu
Temporal and Spatial Changes and GLOF Susceptibility Assessment of Glacial Lakes in Nepal from 2000 to 2020. Remote. Sens. 14 (19) (2022)
Hongfang Zhang, Xiaojun Yao, Qixin Wei, Hongyu Duan, Yuan Zhang
Comparison of Lake Ice Extraction Methods Based on MODIS Images. Remote. Sens. 14 (19) (2022)
Qixin Wei, Xiaojun Yao, Hongfang Zhang, Hongyu Duan, Huian Jin, Jie Chen, Juan Cao
Analysis of the Variability and Influencing Factors of Ice Thickness during the Ablation Period in Qinghai Lake Using the GPR Ice Monitoring System. Remote. Sens. 14 (10) (2022)
Yuquan Li, Chang-Yu Hsieh, Ruiqiang Lu, Xiaoqing Gong, Xiaorui Wang, Pengyong Li, Shuo Liu, Yanan Tian, Dejun Jiang, Jiaxian Yan, Qifeng Bai, Huanxiang Liu, Shengyu Zhang, Xiaojun Yao
An adaptive graph learning method for automated molecular interactions and properties predictions. Nat. Mach. Intell. 4 (7) (2022)
Xiaojun Yao, Masoumeh Azma
Do cloud-based enterprise resource planning systems affect the productivity of human resources in the COVID-19 era? Kybernetes 51 (6) (2022)
Pengyong Li, Jun Wang, Yixuan Qiao, Hao Chen, Yihuan Yu, Xiaojun Yao, Peng Gao, Guotong Xie, Sen Song
An effective self-supervised framework for learning expressive molecular global representations to drug discovery. Briefings Bioinform. 22 (6) (2021)
Lina Xiu, Xiaojun Yao, Mengdie Chen, Changzhen Yan
Effect of Ecological Construction Engineering on Vegetation Restoration: A Case Study of the Loess Plateau. Remote. Sens. 13 (8) (2021)
Huizhen Ge, Longfei Mao, Jie Zhao, Yuwei Wang, Danfeng Shi, Xing Yang, Xiaorui Wang, Huanxiang Liu, Xiaojun Yao
Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays. J. Comput. Aided Mol. Des. 35 (5) (2021)
Qifeng Bai, Shuoyan Tan, Tingyang Xu, Huanxiang Liu, Junzhou Huang, Xiaojun Yao
MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. Briefings Bioinform. 22 (3) (2021)
Chao Shen, Gaoqi Weng, Xujun Zhang, Elaine Lai-Han Leung, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang, Dong-Sheng Cao, Tingjun Hou
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? Briefings Bioinform. 22 (5) (2021)
Sugang Zhou, Xiaojun Yao, Dahong Zhang, Yuan Zhang, Shiyin Liu, Yufang Min
Remote Sensing Monitoring of Advancing and Surging Glaciers in the Tien Shan, 1990-2019. Remote. Sens. 13 (10) (2021)
Pengyong Li, Yuquan Li, Chang-Yu Hsieh, Shengyu Zhang, Xianggen Liu, Huanxiang Liu, Sen Song, Xiaojun Yao
TrimNet: learning molecular representation from triplet messages for biomedicine. Briefings Bioinform. 22 (4) (2021)
Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dong-Sheng Cao, Tingjun Hou
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions. Briefings Bioinform. 22 (1) (2021)
Pengyong Li, Jun Wang, Yixuan Qiao, Hao Chen, Yihuan Yu, Xiaojun Yao, Peng Gao, Guotong Xie, Sen Song
Learn molecular representations from large-scale unlabeled molecules for drug discovery. CoRR (2020)
Chao Shen, Zhe Wang, Xiaojun Yao, Youyong Li, Tailong Lei, Ercheng Wang, Lei Xu, Feng Zhu, Dan Li, Tingjun Hou
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power. Briefings Bioinform. 21 (1) (2020)
Miaomiao Qi, Shiyin Liu, Xiaojun Yao, Fuming Xie, Yongpeng Gao
Monitoring the Ice Phenology of Qinghai Lake from 1980 to 2018 Using Multisource Remote Sensing Data and Google Earth Engine. Remote. Sens. 12 (14) (2020)
Shuangyan Zhou, Yongchang Zhu, Xiaojun Yao, Huanxiang Liu
Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations. J. Chem. Inf. Model. 59 (5) (2019)
Xiaoli An, Shaoyong Lu, Kun Song, Qiancheng Shen, Meilan Huang, Xiaojun Yao, Huanxiang Liu, Jian Zhang
Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs? J. Chem. Inf. Model. 59 (1) (2019)
Zhirui Liao, Ronghui You, Xiaodi Huang, Xiaojun Yao, Tao Huang, Shanfeng Zhu
DeepDock: Enhancing Ligand-protein Interaction Prediction by a Combination of Ligand and Structure Information. BIBM (2019)
Lanlan Li, Wei Wei, Wen-Juan Jia, Yongchang Zhu, Yan Zhang, Jiang-Huai Chen, Jiaqi Tian, Huanxiang Liu, Yong-Xing He, Xiaojun Yao
Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods. J. Comput. Aided Mol. Des. 31 (12) (2017)
Juan Du, Lin Liu, Li Zhong Guo, Xiaojun Yao, Jian Ming Yang
Molecular basis of P450 OleTJE: an investigation of substrate binding mechanism and major pathways. J. Comput. Aided Mol. Des. 31 (5) (2017)
Shuyan Li, Jiazhong Li, Lulu Ning, Shaopeng Wang, Yuzhen Niu, Nengzhi Jin, Xiaojun Yao, Huanxiang Liu, Lili Xi
In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease. J. Chem. Inf. Model. 55 (9) (2015)
Weiwei Xue, Yihe Ban, Huanxiang Liu, Xiaojun Yao
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis. J. Chem. Inf. Model. 54 (2) (2014)
Weiwei Xue, Xiaojie Jin, Lulu Ning, Meixia Wang, Huanxiang Liu, Xiaojun Yao
Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis. J. Chem. Inf. Model. 53 (1) (2013)
Chengqi Wang, Lili Xi, Shuyan Li, Huanxiang Liu, Xiaojun Yao
A sequence-based computational model for the prediction of the solvent accessible surface area for α-helix and β-barrel transmembrane residues. J. Comput. Chem. 33 (1) (2012)
Weiwei Xue, Huanxiang Liu, Xiaojun Yao
Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective. J. Comput. Chem. 33 (5) (2012)
Ying Yang, Jin Qin, Huanxiang Liu, Xiaojun Yao
Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors. J. Chem. Inf. Model. 51 (3) (2011)
Shuyan Li, Lili Xi, Jiazhong Li, Chengqi Wang, Beilei Lei, Yulin Shen, Huanxiang Liu, Xiaojun Yao, Biao Li
prediction of deleterious single amino acid polymorphisms from amino acid sequence. J. Comput. Chem. 32 (7) (2011)
Ying Yang, Yulin Shen, Huanxiang Liu, Xiaojun Yao
Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase. J. Chem. Inf. Model. 51 (12) (2011)
Juan Du, Huijun Sun, Lili Xi, Jiazhong Li, Ying Yang, Huanxiang Liu, Xiaojun Yao
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation. J. Comput. Chem. 32 (13) (2011)
Jiazhong Li, Shuyan Li, Beilei Lei, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Paola Gramatica
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists. J. Comput. Chem. 31 (5) (2010)
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 50 (12) (2010)
Juan Du, Lili Xi, Beilei Lei, Jing Lu, Jiazhong Li, Huanxiang Liu, Xiaojun Yao
Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors. J. Comput. Chem. 31 (15) (2010)
Lili Xi, Juan Du, Shuyan Li, Jiazhong Li, Huanxiang Liu, Xiaojun Yao
A combined molecular modeling study on gelatinases and their potent inhibitors. J. Comput. Chem. 31 (1) (2010)
Shuyan Li, Lili Xi, Chengqi Wang, Jiazhong Li, Beilei Lei, Huanxiang Liu, Xiaojun Yao
A novel method for protein-ligand binding affinity prediction and the related descriptors exploration. J. Comput. Chem. 30 (6) (2009)
Beilei Lei, Juan Du, Shuyan Li, Huanxiang Liu, Yueying Ren, Xiaojun Yao
Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors. J. Comput. Aided Mol. Des. 22 (10) (2008)
Jiazhong Li, Beilei Lei, Huanxiang Liu, Shuyan Li, Xiaojun Yao, Mancang Liu, Paola Gramatica
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling. J. Comput. Chem. 29 (16) (2008)
Igor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. J. Chem. Inf. Model. 46 (2) (2006)
Huanxiang Liu, Xiaojun Yao, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan
Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines. J. Comput. Aided Mol. Des. 19 (7) (2005)
Huanxiang Liu, Rongjing Hu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine. J. Comput. Aided Mol. Des. 19 (1) (2005)
Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines. J. Comput. Aided Mol. Des. 18 (6) (2004)
C. X. Xue, Ruisheng Zhang, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines. J. Chem. Inf. Model. 44 (2) (2004)
C. X. Xue, Ruisheng Zhang, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine. J. Chem. Inf. Model. 44 (5) (2004)
Huanxiang Liu, C. X. Xue, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine. J. Chem. Inf. Model. 44 (6) (2004)
Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs. J. Chem. Inf. Model. 44 (1) (2004)
Xiaojun Yao, Annick Panaye, Jean-Pierre Doucet, Ruisheng Zhang, Haifeng Chen, Mancang Liu, Zhide Hu, Bo Tao Fan
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression. J. Chem. Inf. Model. 44 (4) (2004)
Huanxiang Liu, Ruisheng Zhang, Feng Luan, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
Diagnosing Breast Cancer Based on Support Vector Machines. J. Chem. Inf. Comput. Sci. 43 (3) (2003)
Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan
QSAR Study of Ethyl 2-[(3-Methyl-2, 5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-B Mediated Gene Expression Based on Support Vector Machines. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan
Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted Benzenes. Comput. Chem. 26 (2) (2002)
Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks. Comput. Chem. 25 (5) (2001)