Timon Schroeter
Publications by Year
Research Areas
Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Machine Learning in Materials Science, Machine Learning and Data Classification, Peroxisome Proliferator-Activated Receptors
Most-Cited Works
- → How to Explain Individual Classification Decisions(2009)760 cited
- → Benchmark Data Set for in Silico Prediction of Ames Mutagenicity(2009)355 cited
- → Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set(2010)252 cited
- → Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach(2007)80 cited
- → Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules(2007)70 cited
- → From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγ(2009)56 cited
- → Visual Interpretation of Kernel‐Based Prediction Models(2011)56 cited
- → A Probabilistic Approach to Classifying Metabolic Stability(2008)40 cited
- → Machine Learning Models for Lipophilicity and Their Domain of Applicability(2007)34 cited