| 2006 |
|---|
| 7 | EE | Jérôme Hert,
Peter Willett,
David J. Wilton,
Pierre Acklin,
Kamal Azzaoui,
Edgar Jacoby,
Ansgar Schuffenhauer:
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching.
Journal of Chemical Information and Modeling 46(2): 462-470 (2006) |
| 6 | EE | Ansgar Schuffenhauer,
Nathan Brown,
Paul Selzer,
Peter Ertl,
Edgar Jacoby:
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.
Journal of Chemical Information and Modeling 46(2): 525-535 (2006) |
| 2004 |
|---|
| 5 | EE | Jérôme Hert,
Peter Willett,
David J. Wilton,
Pierre Acklin,
Kamal Azzaoui,
Edgar Jacoby,
Ansgar Schuffenhauer:
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures.
Journal of Chemical Information and Modeling 44(3): 1177-1185 (2004) |
| 4 | EE | Thomas Ott,
Albert Kern,
Ansgar Schuffenhauer,
Maxim Popov,
Pierre Acklin,
Edgar Jacoby,
Ruedi Stoop:
Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data.
Journal of Chemical Information and Modeling 44(4): 1358-1364 (2004) |
| 2003 |
|---|
| 3 | EE | Ansgar Schuffenhauer,
Philipp Floersheim,
Pierre Acklin,
Edgar Jacoby:
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins.
Journal of Chemical Information and Computer Sciences 43(2): 391-405 (2003) |
| 2002 |
|---|
| 2 | EE | Ansgar Schuffenhauer,
Jürg Zimmermann,
Ruedi Stoop,
Jan-Jan van der Vyver,
Steffano Lecchini,
Edgar Jacoby:
An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design.
Journal of Chemical Information and Computer Sciences 42(4): 947-955 (2002) |
| 2000 |
|---|
| 1 | EE | Ansgar Schuffenhauer,
Valerie J. Gillet,
Peter Willett:
Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors.
Journal of Chemical Information and Computer Sciences 40(2): 295-307 (2000) |
