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ORCIDEmilio Xavier Esposito
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2010 – 2019
- 2013
[j10]Chi-Yu Shao, Sing-Zuo Chen, Bo-Han Su, Yufeng J. Tseng
, Emilio Xavier Esposito, Anton J. Hopfinger:
Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes. J. Chem. Inf. Model. 53(1): 142-158 (2013)- [j9]Chia-Yun Chang, Ming-Tsung Hsu, Emilio Xavier Esposito, Yufeng J. Tseng:
Oversampling to Overcome Overfitting: Exploring the Relationship between Data Set Composition, Molecular Descriptors, and Predictive Modeling Methods. J. Chem. Inf. Model. 53(4): 958-971 (2013) - [j8]James B. Dunbar Jr., Richard D. Smith, Kelly L. Damm-Ganamet, Aqeel Ahmed, Emilio Xavier Esposito, James Delproposto, Krishnapriya Chinnaswamy, You-Na Kang, Ginger Kubish, Jason E. Gestwicki, Jeanne A. Stuckey, Heather A. Carlson:
CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys. J. Chem. Inf. Model. 53(8): 1842-1852 (2013) - 2012
- [j7]Yufeng J. Tseng, Anton J. Hopfinger, Emilio Xavier Esposito:
The great descriptor melting pot: mixing descriptors for the common good of QSAR models. J. Comput. Aided Mol. Des. 26(1): 39-43 (2012) - [j6]Bo-Han Su, Yi-shu Tu, Emilio Xavier Esposito, Yufeng J. Tseng:
Predictive Toxicology Modeling: Protocols for Exploring hERG Classification and Tetrahymena pyriformis End Point Predictions. J. Chem. Inf. Model. 52(6): 1660-1673 (2012) - 2011
- [j5]Richard D. Smith, James B. Dunbar Jr., Peter Man-Un Ung, Emilio Xavier Esposito, Chao-Yie Yang, Shaomeng Wang, Heather A. Carlson:
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions. J. Chem. Inf. Model. 51(9): 2115-2131 (2011) - 2010
- [j4]Bo-Han Su, Meng-yu Shen, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng:
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage. J. Chem. Inf. Model. 50(7): 1304-1318 (2010)
2000 – 2009
- 2009
- [j3]Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman:
Findings of the Challenge To Predict Aqueous Solubility. J. Chem. Inf. Model. 49(1): 1-5 (2009) - 2008
- [j2]Jianzhong Liu, Petra Kern, G. Frank Gerberick, Osvaldo Andrade Santos-Filho, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng:
Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. J. Comput. Aided Mol. Des. 22(6-7): 345-366 (2008) - [j1]Tao Zheng, Anton J. Hopfinger, Emilio Xavier Esposito, Jianzhong Liu, Yufeng J. Tseng:
Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers. J. Chem. Inf. Model. 48(6): 1238-1256 (2008)
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