Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. - Jianzhong Liu; Petra Kern; G. Frank Gerberick; Osvaldo Andrade Santos-Filho; Emilio Xavier Esposito; Anton J. Hopfinger; Yufeng J. Tseng (J. Comput. Aided Mol. Des., 2008)

Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers. - Tao Zheng; Anton J. Hopfinger; Emilio Xavier Esposito; Jianzhong Liu; Yufeng J. Tseng (J. Chem. Inf. Model., 2008)

Findings of the Challenge To Predict Aqueous Solubility. - Anton J. Hopfinger; Emilio Xavier Esposito; Antonio Llinàs; Robert C. Glen; Jonathan M. Goodman (J. Chem. Inf. Model., 2009)

In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage. - Bo-Han Su; Meng-yu Shen; Emilio Xavier Esposito; Anton J. Hopfinger; Yufeng J. Tseng (J. Chem. Inf. Model., 2010)

CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions. - Richard D. Smith; James B. Dunbar Jr.; Peter Man-Un Ung; Emilio Xavier Esposito; Chao-Yie Yang; Shaomeng Wang; Heather A. Carlson (J. Chem. Inf. Model., 2011)

The great descriptor melting pot: mixing descriptors for the common good of QSAR models. - Yufeng J. Tseng; Anton J. Hopfinger; Emilio Xavier Esposito (J. Comput. Aided Mol. Des., 2012)

Predictive Toxicology Modeling: Protocols for Exploring hERG Classification and Tetrahymena pyriformis End Point Predictions. - Bo-Han Su; Yi-shu Tu; Emilio Xavier Esposito; Yufeng J. Tseng (J. Chem. Inf. Model., 2012)

Oversampling to Overcome Overfitting: Exploring the Relationship between Data Set Composition, Molecular Descriptors, and Predictive Modeling Methods. - Chia-Yun Chang; Ming-Tsung Hsu; Emilio Xavier Esposito; Yufeng J. Tseng (J. Chem. Inf. Model., 2013)

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys. - 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 (J. Chem. Inf. Model., 2013)

Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes. - Chi-Yu Shao; Sing-Zuo Chen; Bo-Han Su; Yufeng J. Tseng; Emilio Xavier Esposito; Anton J. Hopfinger (J. Chem. Inf. Model., 2013)