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Disambiguation of "Schroeter, Timon"

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Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.

, , , , , , , and . Journal of Computer-Aided Molecular Design, 21 (9): 485-498 (2007)

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Timon Burghardt

Timon Schöler

Timon Burghardt University of Stuttgart

 

Other publications of authors with the same name

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set., , , , , , , , , and 23 other author(s). Journal of Chemical Information and Modeling, 50 (12): 2094-2111 (2010)Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist., , , , , , , , , and . J. Cheminformatics, 2 (S-1): 27 (2010)A Probabilistic Approach to Classifying Metabolic Stability., , , , , , , , and . Journal of Chemical Information and Modeling, 48 (4): 785-796 (2008)Benchmark Data Set for in Silico Prediction of Ames Mutagenicity., , , , , , , and . Journal of Chemical Information and Modeling, 49 (9): 2077-2081 (2009)Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules., , , , , , , and . Journal of Computer-Aided Molecular Design, 21 (9): 485-498 (2007)Machine learning in drug discovery and drug design.. Berlin Institute of Technology, (2009)Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach., , , , , , , , and . Journal of Chemical Information and Modeling, 47 (2): 407-424 (2007)How to Explain Individual Classification Decisions., , , , , and . J. Mach. Learn. Res., (2010)Bias-Correction of Regression Models: A Case Study on hERG Inhibition., , , , , , and . Journal of Chemical Information and Modeling, 49 (6): 1486-1496 (2009)How to Explain Individual Classification Decisions, , , , , and . CoRR, (2009)