Theoretical investigation into the potential of halogenated methanes to undergo reductive metabolism. - Chris L. Waller; James D. McKinney (J. Comput. Chem., 1993)

Development and Validation of a Novel Variable Selection Technique with Application to Multidimensional Quantitative Structure-Activity Relationship Studies. - Chris L. Waller; Mary P. Bradley (J. Chem. Inf. Comput. Sci., 1999)

Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining. - Weifan Zheng; Sung Jin Cho; Chris L. Waller; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 1999)

Polarizability Fields for Use in Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR). - Mary P. Bradley; Chris L. Waller (J. Chem. Inf. Comput. Sci., 2001)

Recent advances in molecular diversity. - Chris L. Waller (J. Comput. Aided Mol. Des., 2002)

A Comparative QSAR Study Using CoMFA, HQSAR, and FRED/SKEYS Paradigms for Estrogen Receptor Binding Affinities of Structurally Diverse Compounds. - Chris L. Waller (J. Chem. Inf. Model., 2004)

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. - Andreas Verras; Chris L. Waller; Peter Gedeck; Darren V. S. Green; Thierry Kogej; Anandkumar Raichurkar; Manoranjan Panda; Anang A. Shelat; Julie Clark; R. Kiplin Guy; George Papadatos; Jeremy N. Burrows (J. Chem. Inf. Model., 2017)

Chemistry, information and Frank: a tribute to Frank Brown. - Dimitris K. Agrafiotis; M. Katharine Holloway; Scott A. Johnson; Charles H. Reynolds; Terry R. Stouch; Alexander Tropsha; Chris L. Waller (J. Comput. Aided Mol. Des., 2018)