Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins. - Ansgar Schuffenhauer; Philipp Floersheim; Pierre Acklin; Edgar Jacoby (J. Chem. Inf. Comput. Sci., 2003)

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. - Jérôme Hert; Peter Willett 002; David J. Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer (J. Chem. Inf. Model., 2004)

Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data. - Thomas Ott; Albert Kern; Ansgar Schuffenhauer; Maxim Popov; Pierre Acklin; Edgar Jacoby; Ruedi Stoop (J. Chem. Inf. Model., 2004)

New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2. - Philippe Ferrara; Alessandro Curioni; Eric Vangrevelinghe; T. Meyer; Tiziana Mordasini; Wanda Andreoni; Pierre Acklin; Edgar Jacoby (J. Chem. Inf. Model., 2006)

New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching. - Jérôme Hert; Peter Willett 002; David J. Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer (J. Chem. Inf. Model., 2006)