Pierre Acklin

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Jérôme Hert, Peter Willett, David J. Wilton et al. · Organic & Biomolecular Chemistry · 2004 · 261 citations

Topological Descriptors, Engineering, Hit Identification +24

Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins

Ansgar Schuffenhauer, Philipp Floersheim, Pierre Acklin et al. · Journal of Chemical Information and Computer Sciences · 2002 · 249 citations

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, David J. Wilton et al. · Journal of Chemical Information and Modeling · 2006 · 202 citations

Hit Identification, Machine Learning, Structural Bioinformatics +24

4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]- benzoic Acid: A Novel Efficient and Selective Iron(III) Complexing Agent

Uwe Heinz, Pierre Acklin, Bernard Faller et al. · Angewandte Chemie International Edition · 1999 · 124 citations

Engineering, Iron Metabolism, Organic Chemistry +21

Enrichment of Extremely Noisy High-Throughput Screening Data Using a Naïve Bayes Classifier

Meir Glick, Anthony E. Klon, Pierre Acklin et al. · SLAS DISCOVERY · 2004 · 87 citations · Full text