A General Purpose Transpiler for Fully Homomorphic Encryption.
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IACR Cryptol. ePrint Arch., 2021
How Accurately Can We Predict the Melting Points of Drug-like Compounds?
J. Chem. Inf. Model., 2014
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process.
J. Cheminformatics, 2014
Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions.
J. Chem. Inf. Model., 2013
Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms.
J. Cheminformatics, 2013
ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions.
J. Chem. Inf. Model., 2012
In silico pK<sub>a</sub> prediction.
J. Cheminformatics, 2012
QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework "OCHEM".
J. Cheminformatics, 2012
Applicability Domain of QSAR models (Anwendbarkeitsbereich von QSAR-Modellen)
PhD thesis, 2011
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.
J. Chem. Inf. Model., 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
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J. Comput. Aided Mol. Des., 2011
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
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J. Chem. Inf. Model., 2010
Applicability domain for classification problems.
J. Cheminformatics, 2010
Classification of CYP450 1A2 inhibitors using PubChem data.
J. Cheminformatics, 2010
OCHEM - on-line CHEmical database & modeling environment.
J. Cheminformatics, 2010
Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis: </i> Focusing on Applicability Domain and Overfitting by Variable Selection.
J. Chem. Inf. Model., 2008