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List of works by Hanna Geppert

Advances in 2D fingerprint similarity searching ⬇️

scientific article published on April 29, 2010

Application of Support Vector Machine-Based Ranking Strategies to Search for Target-Selective Compounds ⬇️

scientific article published on January 1, 2011

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

scientific article

Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential ⬇️

scientific article published on October 7, 2011

Integrating structure- and ligand-based virtual screening: comparison of individual, parallel, and fused molecular docking and similarity search calculations on multiple targets

scientific article published in October 2008

Ligand prediction for orphan targets using support vector machines and various target-ligand kernels is dominated by nearest neighbor effects

scientific article published on October 2009

Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors

scientific article

Methods for computer-aided chemical biology. Part 3: analysis of structure-selectivity relationships through single- or dual-step selectivity searching and Bayesian classification

scientific article published on 9 May 2008

Methods for computer-aided chemical biology. Part 4: selectivity searching for ion channel ligands and mapping of molecular fragments as selectivity markers

scientific article

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

scientific article published on August 12, 2010

Searching for target-selective compounds using different combinations of multiclass support vector machine ranking methods, kernel functions, and fingerprint descriptors

scientific article published in March 2009

Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds

scientific article

Targeting multifunctional proteins by virtual screening: structurally diverse cytohesin inhibitors with differentiated biological functions

scientific article

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