| Methods for applying the quantitative structure-activity relationship paradigm EX Esposito, AJ Hopfinger, JD Madura Chemoinformatics: Concepts, methods, and tools for drug discovery, 131-213, 2004 | 159 | 2004 |
| CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions RD Smith, JB Dunbar Jr, PMU Ung, EX Esposito, CY Yang, S Wang, ... Journal of chemical information and modeling 51 (9), 2115-2131, 2011 | 158 | 2011 |
| Findings of the challenge to predict aqueous solubility. AJ Hopfinger, EX Esposito, A Llinas, RC Glen, JM Goodman Journal of chemical information and modeling 49 (1), 1-5, 2009 | 134 | 2009 |
| CSAR data set release 2012: ligands, affinities, complexes, and docking decoys JB Dunbar Jr, RD Smith, KL Damm-Ganamet, A Ahmed, EX Esposito, ... Journal of chemical information and modeling 53 (8), 1842-1852, 2013 | 123 | 2013 |
| In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage BH Su, M Shen, EX Esposito, AJ Hopfinger, YJ Tseng Journal of chemical information and modeling 50 (7), 1304-1318, 2010 | 78 | 2010 |
| Docking of sulfonamides to carbonic anhydrase II and IV EX Esposito, K Baran, K Kelly, JD Madura Journal of Molecular Graphics and Modelling 18 (3), 283-289, 2000 | 70 | 2000 |
| Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods CY Chang, MT Hsu, EX Esposito, YJ Tseng Journal of chemical information and modeling 53 (4), 958-971, 2013 | 65 | 2013 |
| Dependence of QSAR models on the selection of trial descriptor sets: a demonstration using nanotoxicity endpoints of decorated nanotubes CY Shao, SZ Chen, BH Su, YJ Tseng, EX Esposito, AJ Hopfinger Journal of chemical information and modeling 53 (1), 142-158, 2013 | 48 | 2013 |
| A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets M Shen, BH Su, EX Esposito, AJ Hopfinger, YJ Tseng Chemical research in toxicology 24 (6), 934-949, 2011 | 46 | 2011 |
| The great descriptor melting pot: mixing descriptors for the common good of QSAR models YJ Tseng, AJ Hopfinger, EX Esposito Journal of computer-aided molecular design 26, 39-43, 2012 | 44 | 2012 |
| Experimental and computational studies of physicochemical properties influence NSAID-cyclodextrin complexation LA Felton, C Popescu, C Wiley, EX Esposito, P Lefevre, AJ Hopfinger AAPS PharmSciTech 15, 872-881, 2014 | 29 | 2014 |
| Predictive Toxicology Modeling: Protocols for Exploring hERG Classification and Tetrahymena pyriformis End Point Predictions BH Su, Y Tu, EX Esposito, YJ Tseng Journal of chemical information and modeling 52 (6), 1660-1673, 2012 | 25 | 2012 |
| Comparative protein modeling EX Esposito, D Tobi, JD Madura Reviews in computational chemistry 22, 57-167, 2006 | 22 | 2006 |
| The Design, Synthesis, and Characterizations of Spore Germination Inhibitors Effective against an Epidemic Strain of Clostridium difficile SK Sharma, C Yip, EX Esposito, PV Sharma, MP Simon, E Abel-Santos, ... Journal of medicinal chemistry 61 (15), 6759-6778, 2018 | 21 | 2018 |
| Membrane-Interaction Quantitative Structure− Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers T Zheng, AJ Hopfinger, EX Esposito, J Liu, YJ Tseng Journal of chemical information and modeling 48 (6), 1238-1256, 2008 | 20 | 2008 |
| Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors J Liu, PS Kern, GF Gerberick, OA Santos-Filho, EX Esposito, AJ Hopfinger, ... Journal of Computer-Aided Molecular Design 22, 345-366, 2008 | 16 | 2008 |
| Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase EX Esposito, TR Stouch, T Wymore, JD Madura Chemical Research in Toxicology 27 (1), 99-110, 2014 | 13 | 2014 |
| Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models EX Esposito, AJ Hopfinger, CY Shao, BH Su, SZ Chen, YJ Tseng Toxicology and Applied Pharmacology 288 (1), 52-62, 2015 | 11 | 2015 |
| A combined computational and experimental approach reveals the structure of a C/EBPβ–Spi1 interaction required for IL1B gene transcription SH Pulugulla, R Workman, NW Rutter, Z Yang, J Adamik, B Lupish, ... Journal of Biological Chemistry 293 (52), 19942-19956, 2018 | 9 | 2018 |
| Biological testing of organophosphorus-inactivated acetylcholinesterase oxime reactivators identified via virtual screening JA Berberich, TR Stouch, S Manepalli, EX Esposito, JD Madura Chemical Research in Toxicology 29 (9), 1534-1540, 2016 | 9 | 2016 |
