Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios. - Dimitar Hristozov; Tudor I. Oprea; Johann Gasteiger (J. Comput. Aided Mol. Des., 2007)

Sesquiterpene Lactones-Based Classification of the Family Asteraceae Using Neural Networks and k-Nearest Neighbors. - Dimitar Hristozov; Fernando B. Da Costa; Johann Gasteiger (J. Chem. Inf. Model., 2007)

Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps. - Dimitar Hristozov; Tudor I. Oprea; Johann Gasteiger (J. Chem. Inf. Model., 2007)

Multilabeled Classification Approach To Find a Plant Source for Terpenoids. - Dimitar Hristozov; Johann Gasteiger; Fernando B. Da Costa (J. Chem. Inf. Model., 2008)

Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study. - Lisa Michielan; Stephanie Federico; Lothar Terfloth; Dimitar Hristozov; Barbara Cacciari; Karl Norbert Klotz; Giampiero Spalluto; Johann Gasteiger; Stefano Moro (J. Chem. Inf. Model., 2009)

Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature. - Gian Marco Ghiandoni; Michael J. Bodkin; Beining Chen; Dimitar Hristozov; James E. A. Wallace; James Webster; Valerie J. Gillet (J. Chem. Inf. Model., 2019)

Enhancing reaction-based de novo design using a multi-label reaction class recommender. - Gian Marco Ghiandoni; Michael J. Bodkin; Beining Chen; Dimitar Hristozov; James E. A. Wallace; James Webster; Valerie J. Gillet (J. Comput. Aided Mol. Des., 2020)

dunXai: DO-U-Net for Explainable (Multi-label) Image Classification - Applications to Biomedical Images. - Toyah Overton; Allan Tucker; Tim James; Dimitar Hristozov (IDA, 2022)