Chemoinformatic Analysis of a Supertargeted Combinatorial Library of Styryl Molecules. - Kerby Shedden; Julie Brumer; Young Tae Chang; Gustavo R. Rosania (J. Chem. Inf. Comput. Sci., 2003)

Prospecting for Live Cell Bioimaging Probes with Cheminformatic Assisted Image Array (caia). - Maria M. Posada; Kerby Shedden; Young Tae Chang; Qian Li; Gustavo R. Rosania (ISBI, 2007)

Simulation-based cheminformatic analysis of organelle-targeted molecules: lysosomotropic monobasic amines. - Xinyuan Zhang; Nan Zheng; Gus R. Rosania (J. Comput. Aided Mol. Des., 2008)

Data Mining the NCI60 to Predict Generalized Cytotoxicity. - Adam C. Lee; Kerby Shedden; Gustavo R. Rosania; Gordon M. Crippen (J. Chem. Inf. Model., 2008)

Tunable Machine Vision-Based Strategy for Automated Annotation of Chemical Databases. - Jungkap Park; Gus R. Rosania; Kazuhiro Saitou (J. Chem. Inf. Model., 2009)

Gene expression associations with the growth inhibitory effects of small molecules on live cells: Specificity of effects and uniformity of mechanisms. - Kerby Shedden; Yang Yang; Gustavo R. Rosania (Stat. Anal. Data Min., 2009)

Image-based automated chemical database annotation with ensemble of machine-vision classifiers. - Jungkap Park; Kazuhiro Saitou; Gus R. Rosania (CASE, 2010)

Image-to-Structure Task by ChemReader. - Jungkap Park; Ye Li; Gus R. Rosania; Kazuhiro Saitou (TREC, 2011)

A Cell-based Computational Modeling Approach for Developing Site-Directed Molecular Probes. - Jing-yu Yu; Nan Zheng; Gerta Mane; Kyoung Ah Min; Juan P. Hinestroza; Huaning Zhu; Kathleen A. Stringer; Gus R. Rosania (PLoS Comput. Biol., 2012)

Visualizing chemical structure-subcellular localization relationships using fluorescent small molecules as probes of cellular transport. - Gus R. Rosania; Kerby Shedden; Nan Zheng; Xinyuan Zhang (J. Cheminformatics, 2013)