Symposium overview Minnesota Conference on Supercomputing in Biology: Proteins, Nucleic Acids, and Water. - George L. Wilcox; Florante A. Quiocho; Cyrus Levinthal; Stephen C. Harvey; Gerald M. Maggiora; James Andrew McCammon (J. Comput. Aided Mol. Des., 1988)

Predicting Chemical Reactions with a Neural Network. - David W. Elrod; Gerald M. Maggiora; Robert G. Trenary (Great Lakes Computer Science Conference, 1989)

Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions. - David W. Elrod; Gerald M. Maggiora; Robert G. Trenary (J. Chem. Inf. Comput. Sci., 1990)

Computational neural networks as model-free mapping devices. - Gerald M. Maggiora; David W. Elrod; Robert G. Trenary (J. Chem. Inf. Comput. Sci., 1992)

A consensus procedure for predicting the location of alpha-helical transmembrane segments in proteins. - L. A. Parodi; C. A. Granatir; Gerald M. Maggiora (Comput. Appl. Biosci., 1994)

Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine. - P. Duane Walker; Paul G. Mezey; Gerald M. Maggiora; Mark A. Johnson; James D. Petke (J. Comput. Chem., 1995)

Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems. - P. Duane Walker; Gerald M. Maggiora; Mark A. Johnson; James D. Petke; Paul G. Mezey (J. Chem. Inf. Comput. Sci., 1995)

Four Association Coefficients for Relating Molecular Similarity Measures. - Cheng Cheng; Gerald M. Maggiora; Michael S. Lajiness; Mark A. Johnson (J. Chem. Inf. Comput. Sci., 1996)

MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches. - Jordi Mestres; Douglas C. Rohrer; Gerald M. Maggiora (J. Comput. Chem., 1997)

Field-Based Similarity Forcing in Energy Minimization and Molecular Matching. - James R. Blinn; Douglas C. Rohrer; Gerald M. Maggiora (Pacific Symposium on Biocomputing, 1999)

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. - Jordi Mestres; Douglas C. Rohrer; Gerald M. Maggiora (J. Comput. Aided Mol. Des., 1999)

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching. - Jordi Mestres; Douglas C. Rohrer; Gerald M. Maggiora (J. Comput. Aided Mol. Des., 2000)

Data Shaving: A Focused Screening Approach. - Suzanne K. Schreyer; Christian N. Parker; Gerald M. Maggiora (J. Chem. Inf. Model., 2004)

On Outliers and Activity Cliffs-Why QSAR Often Disappoints. - Gerald M. Maggiora (J. Chem. Inf. Model., 2006)

Molecular Basis SetsA General Similarity-Based Approach for Representing Chemical Spaces. - Akshay S. Raghavendra; Gerald M. Maggiora (J. Chem. Inf. Model., 2007)

The reductionist paradox: are the laws of chemistry and physics sufficient for the discovery of new drugs? - Gerald M. Maggiora (J. Comput. Aided Mol. Des., 2011)

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations. - Austin B. Yongye; Kendall G. Byler; Radleigh Santos; Karina Martínez-Mayorga; Gerald M. Maggiora; José L. Medina-Franco (J. Chem. Inf. Model., 2011)

Is there a future for computational chemistry in drug research? - Gerald M. Maggiora (J. Comput. Aided Mol. Des., 2012)

Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account. - Ye Hu; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2013)

Conditional Probabilities of Activity Landscape Features for Individual Compounds. - Martin Vogt 001; Preeti Iyer; Gerald M. Maggiora; Jürgen Bajorath (J. Chem. Inf. Model., 2013)

Chemical space networks: a powerful new paradigm for the description of chemical space. - Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2014)

Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity. - Bijun Zhang; Martin Vogt 001; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2015)

Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. - Bijun Zhang; Martin Vogt 001; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2015)

Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. - Bijun Zhang; Martin Vogt 001; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2015)

Design and characterization of chemical space networks for different compound data sets. - Magdalena Zwierzyna; Martin Vogt 001; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2015)

Lessons learned from the design of chemical space networks and opportunities for new applications. - Martin Vogt 001; Dagmar Stumpfe; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2016)

Design of chemical space networks on the basis of Tversky similarity. - Mengjun Wu; Martin Vogt 001; Gerald M. Maggiora; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2016)

From Qualitative to Quantitative Analysis of Activity and Property Landscapes. - Gerald M. Maggiora; José L. Medina-Franco; Javed Iqbal; Martin Vogt 001; Jürgen Bajorath (J. Chem. Inf. Model., 2020)

Is the reductionist paradox an Achilles Heel of drug discovery? - Gerry Maggiora (J. Comput. Aided Mol. Des., 2022)

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. - Jürgen Bajorath; Ana L. Chávez-Hernández; Miquel Duran-Frigola; Eli Fernández-de Gortari; Johann Gasteiger; Edgar López-López; Gerald M. Maggiora; José L. Medina-Franco; Oscar Méndez-Lucio; Jordi Mestres; Ramón Alain Miranda-Quintana; Tudor I. Oprea; et al. (J. Cheminformatics, 2022)