Gerald M. Maggiora
Orcid: 0000-0002-1839-2650
According to our database1,
Gerald M. Maggiora
authored at least 30 papers
between 1988 and 2022.
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Bibliography
2022
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.
J. Cheminformatics, 2022
J. Comput. Aided Mol. Des., 2022
2020
J. Chem. Inf. Model., 2020
2016
J. Comput. Aided Mol. Des., 2016
Lessons learned from the design of chemical space networks and opportunities for new applications.
J. Comput. Aided Mol. Des., 2016
2015
Design and characterization of chemical space networks for different compound data sets.
J. Comput. Aided Mol. Des., 2015
Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.
J. Comput. Aided Mol. Des., 2015
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.
J. Comput. Aided Mol. Des., 2015
Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity.
J. Comput. Aided Mol. Des., 2015
2014
Chemical space networks: a powerful new paradigm for the description of chemical space.
J. Comput. Aided Mol. Des., 2014
2013
J. Chem. Inf. Model., 2013
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account.
J. Comput. Aided Mol. Des., 2013
2012
J. Comput. Aided Mol. Des., 2012
2011
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations.
J. Chem. Inf. Model., 2011
The reductionist paradox: are the laws of chemistry and physics sufficient for the discovery of new drugs?
J. Comput. Aided Mol. Des., 2011
2007
Molecular Basis SetsA General Similarity-Based Approach for Representing Chemical Spaces.
J. Chem. Inf. Model., 2007
2006
J. Chem. Inf. Model., 2006
2004
2000
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.
J. Comput. Aided Mol. Des., 2000
1999
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors.
J. Comput. Aided Mol. Des., 1999
Proceedings of the 4th Pacific Symposium on Biocomputing, 1999
1997
MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches.
J. Comput. Chem., 1997
1996
J. Chem. Inf. Comput. Sci., 1996
1995
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems.
J. Chem. Inf. Comput. Sci., 1995
Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine.
J. Comput. Chem., 1995
1994
A consensus procedure for predicting the location of alpha-helical transmembrane segments in proteins.
Comput. Appl. Biosci., 1994
1992
J. Chem. Inf. Comput. Sci., 1992
1990
Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions.
J. Chem. Inf. Comput. Sci., 1990
1989
Proceedings of the Computing in the 90's, 1989
1988
Symposium overview Minnesota Conference on Supercomputing in Biology: Proteins, Nucleic Acids, and Water.
J. Comput. Aided Mol. Des., 1988