A semiparametric modeling framework for potential biomarker discovery and the development of metabonomic profiles. - Samiran Ghosh; David F. Grant; Dipak K. Dey; Dennis W. Hill (BMC Bioinform., 2008)

Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices. - Daniel R. Albaugh; L. Mark Hall; Dennis W. Hill; Tzipporah M. Kertesz; Marc Parham; Lowell H. Hall; David F. Grant (J. Chem. Inf. Model., 2009)

The use of graph matching algorithms to identify biochemical substructures in synthetic chemical compounds: Application to metabolomics. - Mai Hamdalla; David F. Grant; Ion I. Mandoiu; Dennis W. Hill; Sanguthevar Rajasekaran; Reda A. Ammar (ICCABS, 2012)

Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1, 3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry. - L. Mark Hall; Lowell H. Hall; Tzipporah M. Kertesz; Dennis W. Hill; Thomas R. Sharp; Edward Z. Oblak; Ying W. Dong; David S. Wishart; Ming-Hui Chen; David F. Grant (J. Chem. Inf. Model., 2012)

BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space. - Mai Hamdalla; Ion I. Mandoiu; Dennis W. Hill; Sanguthevar Rajasekaran; David F. Grant (J. Chem. Inf. Model., 2013)

In Silico Enzymatic Synthesis of a 400 000 Compound Biochemical Database for Nontargeted Metabolomics. - Lochana C. Menikarachchi; Dennis W. Hill; Mai Hamdalla; Ion I. Mandoiu; David F. Grant (J. Chem. Inf. Model., 2013)

Metabolic Pathway Predictions for Metabolomics: A Molecular Structure Matching Approach. - Mai Hamdalla; Sanguthevar Rajasekaran; David F. Grant; Ion I. Mandoiu (J. Chem. Inf. Model., 2015)

Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds. - L. Mark Hall; Dennis W. Hill; Kelly Bugden; Shannon Cawley; Lowell H. Hall; Ming-Hui Chen; David F. Grant (J. Chem. Inf. Model., 2018)