Chemical Information in 3D Space. - Johann Gasteiger; Jens Sadowski; Jan H. Schuur; Paul Selzer; Larissa Steinhauer; Valentin Steinhauer (J. Chem. Inf. Comput. Sci., 1996)

The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity. - Jan H. Schuur; Paul Selzer; Johann Gasteiger (J. Chem. Inf. Comput. Sci., 1996)

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. - Ansgar Schuffenhauer; Nathan Brown; Paul Selzer; Peter Ertl; Edgar Jacoby (J. Chem. Inf. Model., 2006)

Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection. - Paul Selzer; Peter Ertl (J. Chem. Inf. Model., 2006)

Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors. - Stephen P. Jelfs; Peter Ertl; Paul Selzer (J. Chem. Inf. Model., 2007)

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space. - Ansgar Schuffenhauer; Nathan Brown; Peter Ertl; Jeremy L. Jenkins; Paul Selzer; Jacques Hamon (J. Chem. Inf. Model., 2007)