Mass-Spectrometry-Based Serum Metabolomics of a C57BL/6J Mouse Model of High-Fat-Diet-Induced Non-alcoholic Fatty Liver Disease Development von Lai, Yi-Syuan, Chen, Wei-Cheng, Kuo, Tien-Chueh, Ho, Chi-Tang, Kuo, Ching-Hua, Tseng, Yufeng J, Lu, Kuan-Hung, Lin, Shih-Hang, Panyod, Suraphan, Sheen, Lee-Yan

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Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis von Hsu, Kuo-Hsiang, Su, Bo-Han, Tu, Yi-Shu, Lin, Olivia A, Tseng, Yufeng J

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Rule-Based Prediction Models of Cytochrome P450 Inhibition von Su, Bo-Han, Tu, Yi-shu, Lin, Chieh, Shao, Chi-Yu, Lin, Olivia A, Tseng, Yufeng J

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Metabolomics of Ginger Essential Oil against Alcoholic Fatty Liver in Mice von Liu, Chun-Ting, Raghu, Rajasekaran, Lin, Shu-Hsi, Wang, San-Yuan, Kuo, Ching-Hua, Tseng, Yufeng J, Sheen, Lee-Yan

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In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage von Su, Bo-Han, Shen, Meng-yu, Esposito, Emilio Xavier, Hopfinger, Anton J, Tseng, Yufeng J

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LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility von Lin, Fang-Yu, Esposito, Emilio Xavier, Tseng, Yufeng J

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Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development von Hsiao, Yi, Su, Bo-Han, Tseng, Yufeng J

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PgpRules: a decision tree based prediction server for P-glycoprotein substrates and inhibitors von Wang, Pei-Hua, Tu, Yi-Shu, Tseng, Yufeng J

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Predictive Toxicology Modeling: Protocols for Exploring hERG Classification and Tetrahymena pyriformis End Point Predictions von Su, Bo-Han, Tu, Yi-shu, Esposito, Emilio Xavier, Tseng, Yufeng J

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PgpRules: a decision tree based prediction server for P-glycoprotein substrates and inhibitors von Wang, Pei-Hua, Tu, Yi-Shu, Tseng, Yufeng J

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Batch Normalizer: A Fast Total Abundance Regression Calibration Method to Simultaneously Adjust Batch and Injection Order Effects in Liquid Chromatography/Time-of-Flight Mass Spect... von Wang, San-Yuan, Kuo, Ching-Hua, Tseng, Yufeng J

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PanGPCR: predictions for multiple targets, repurposing and side effects von Liu, Lu-Chi, Ho, Ming-Yang, Su, Bo-Han, Wang, San-Yuan, Hsu, Ming-Tsung, Tseng, Yufeng J

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Metabolomics of Children and Adolescents Exposed to Industrial Carcinogenic Pollutants von Chen, Chi-Hsin S, Kuo, Tien-Chueh, Kuo, Han-Chun, Tseng, Yufeng J, Kuo, Ching-Hua, Yuan, Tzu-Hsuen, Chan, Chang-Chuan

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An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm von Su, Bo-Han, Shen, Meng-Yu, Harn, Yeu-Chern, Wang, San-Yuan, Schurz, Alioune, Lin, Chieh, Lin, Olivia A., Tseng, Yufeng J.

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G.A.M.E.: GPU-accelerated mixture elucidator von Schurz, Alioune, Su, Bo-Han, Tu, Yi-Shu, Lu, Tony Tsung-Yu, Lin, Olivia A., Tseng, Yufeng J.

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Ion Trace Detection Algorithm to Extract Pure Ion Chromatograms to Improve Untargeted Peak Detection Quality for Liquid Chromatography/Time-of-Flight Mass Spectrometry-Based Metabo... von Wang, San-Yuan, Kuo, Ching-Hua, Tseng, Yufeng J

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CypRules: a rule-based P450 inhibition prediction server von Shao, Chi-Yu, Su, Bo-Han, Tu, Yi-Shu, Lin, Chieh, Lin, Olivia A, Tseng, Yufeng J

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Lipidomics of children and adolescents exposed to multiple industrial pollutants von Chen, Chi-Hsin S., Kuo, Tien-Chueh, Kuo, Han-Chun, Tseng, Yufeng J., Kuo, Ching-Hua, Yuan, Tzu-Hsuen, Chan, Chang-Chuan

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Advances in the prediction of mouse liver microsomal studies: From machine learning to deep learning von Renn, Alex, Su, Bo‐Han, Liu, Hsin, Sun, Joseph, Tseng, Yufeng J.

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Quantum chemical investigation of the detection properties of alternariol and alternariol monomethyl ether von Tu, Yi-Shu, Tseng, Yufeng J., Appell, Michael

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