Anne Mai Wassermann
Merck & Co., Inc., Rahway, NJ, USA (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Microbial Natural Products and Biosynthesis, Metabolomics and Mass Spectrometry Studies, Bioinformatics and Genomic Networks, Analytical Chemistry and Chromatography
Most-Cited Works
- → Activity Landscape Representations for Structure−Activity Relationship Analysis(2010)176 cited
- → Dark chemical matter as a promising starting point for drug lead discovery(2015)133 cited
- → SARANEA: A Freely Available Program To Mine Structure−Activity and Structure−Selectivity Relationship Information in Compound Data Sets(2010)82 cited
- → BindingDB and ChEMBL: online compound databases for drug discovery(2011)75 cited
- → Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem’s Bioassay Repository(2016)67 cited
- → Data structures and computational tools for the extraction of SAR information from large compound sets(2010)67 cited
- → Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets(2010)65 cited
- → Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects(2009)62 cited
- → Biodiversity of small molecules – a new perspective in screening set selection(2013)62 cited
- → Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors(2009)58 cited