Mapping of Activity-Specific Fragment Pathways Isolated from Random Fragment Populations Reveals the Formation of Coherent Molecular Cores. - Eugen Lounkine; José Batista; Jürgen Bajorath (J. Chem. Inf. Model., 2007)

Core Trees and Consensus Fragment Sequences for Molecular Representation and Similarity Analysis. - Eugen Lounkine; Jürgen Bajorath (J. Chem. Inf. Model., 2008)

Similarity Searching Using Fingerprints of Molecular Fragments Involved in Protein-Ligand Interactions. - Lu Tan; Eugen Lounkine; Jürgen Bajorath (J. Chem. Inf. Model., 2008)

Topological Fragment Index for the Analysis of Molecular Substructures and Their Topological Environment in Active Compounds. - Eugen Lounkine; Jürgen Bajorath (J. Chem. Inf. Model., 2009)

Relevance of Feature Combinations for Similarity Searching Using General or Activity Class-Directed Molecular Fingerprints. - Eugen Lounkine; Ye Hu; José Batista; Jürgen Bajorath (J. Chem. Inf. Model., 2009)

Molecular Formal Concept Analysis for Compound Selectivity Profiling in Biologically Annotated Databases. - Eugen Lounkine; Dagmar Stumpfe; Jürgen Bajorath (J. Chem. Inf. Model., 2009)

Computational methods for the integration of biological activity and chemical space. - Eugen Lounkine (2009)

Adaptation of formal concept analysis for the systematic exploration of structure-activity and structure-selectivity relationships. - Eugen Lounkine; Jürgen Bajorath (J. Cheminformatics, 2010)

SARANEA: A Freely Available Program To Mine Structure-Activity and Structure-Selectivity Relationship Information in Compound Data Sets. - Eugen Lounkine; Mathias Wawer; Anne Mai Wassermann; Jürgen Bajorath (J. Chem. Inf. Model., 2010)

Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity Relationships. - Eugen Lounkine; Florian Nigsch; Jeremy L. Jenkins; Meir Glick (J. Chem. Inf. Model., 2011)

Bioturbo Similarity Searching: Combining Chemical and Biological Similarity To Discover Structurally Diverse Bioactive Molecules. - Anne Mai Wassermann; Eugen Lounkine; Meir Glick (J. Chem. Inf. Model., 2013)

Experimental Design Strategy: Weak Reinforcement Leads to Increased Hit Rates and Enhanced Chemical Diversity. - Mateusz Maciejewski; Anne Mai Wassermann; Meir Glick; Eugen Lounkine (J. Chem. Inf. Model., 2015)