Hanna Geppert

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening

Martin Vogt, Dagmar Stumpfe, Hanna Geppert et al. · Journal of Medicinal Chemistry · 2010 · 93 citations

Engineering, Genetics, Biometrics +17

Integrating Structure‐ and Ligand‐Based Virtual Screening: Comparison of Individual, Parallel, and Fused Molecular Docking and Similarity Search Calculations on Multiple Targets

Lu Tan, Hanna Geppert, Mihiret T. Sisay et al. · ChemMedChem · 2008 · 70 citations

Drug Target, Bioorganic Chemistry, Hit Identification +21

Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds

Hanna Geppert, Tamás Horváth, Thomas Gärtner et al. · Journal of Chemical Information and Modeling · 2008 · 65 citations

Engineering, Hit Identification, Similarity Measure +26

Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects

Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath · Journal of Chemical Information and Modeling · 2009 · 62 citations

Drug Target, Engineering, Machine Learning +21

Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors

Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath · Journal of Chemical Information and Modeling · 2009 · 58 citations

Engineering, Machine Learning, Hit Identification +26