Enhanced small molecule similarity for quantitative structure-activity relationship modeling and cheminformatics applications.
PhD thesis, 2013
Similarity Boosted Quantitative Structure-Activity Relationship - A Systematic Study of Enhancing Structural Descriptors by Molecular Similarity.
J. Chem. Inf. Model., 2013
Improving structural similarity based virtual screening using background knowledge.
J. Cheminformatics, 2013
PriaXplore<sup>® </sup>- a novel technology platform for the identification of small molecule modulators of protein-protein interactions.
J. Cheminformatics, 2013
Adapted Transfer of Distance Measures for Quantitative Structure-Activity Relationships and Data-Driven Selection of Source Datasets.
Comput. J., 2013
Online Structural Graph Clustering Using Frequent Subgraph Mining.
Proceedings of the Machine Learning and Knowledge Discovery in Databases, 2010
A Numerical Refinement Operator Based on Multi-Instance Learning.
Proceedings of the Inductive Logic Programming - 20th International Conference, 2010
Adapted Transfer of Distance Measures for Quantitative Structure-Activity Relationships.
Proceedings of the Discovery Science - 13th International Conference, 2010
Fast Conditional Density Estimation for Quantitative Structure-Activity Relationships.
Proceedings of the Twenty-Fourth AAAI Conference on Artificial Intelligence, 2010
Protein solubility: sequence based prediction and experimental verification.
Bioinform., 2007