J. Schwöbel

发表

Measurement and estimation of electrophilic reactivity for predictive toxicology.

J. Schwöbel, Y. Koleva, S. Enoch, 2011, Chemical reviews.

High-Throughput Screening of Working Fluids for the Organic Rankine Cycle (ORC) Based on Conductor-like Screening Model for Realistic Solvation (COSMO-RS) and Thermodynamic Process Simulations

Markus Preißinger, Dieter Brüggemann, Andreas Klamt, 2017 .

Prediction of michael-type acceptor reactivity toward glutathione.

J. Schwöbel, Y. Koleva, J. Madden, 2010, Chemical research in toxicology.

Mechanistic skin penetration model by the COSMOperm method: Routes of permeation, vehicle effects and skin variations in the healthy and compromised skin

J. Schwöbel, A. Klamt, 2019, Computational Toxicology.

Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis.

J. Schwöbel, J. Madden, M. Cronin, 2011, Chemosphere.

Modelling acute oral mammalian toxicity. 1. Definition of a quantifiable baseline effect.

J. Schwöbel, Y. Koleva, J. Madden, 2011, Toxicology in vitro : an international journal published in association with BIBRA.

Prediction models for the Abraham hydrogen bond donor strength: comparison of semi-empirical, ab initio, and DFT methods

J. Schwöbel, G. Schüürmann, R. Kühne, 2011 .

COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RS.

T. Gaudin, J. Schwöbel, A. Klamt, 2018, Physical chemistry chemical physics : PCCP.

Prediction of the intrinsic hydrogen bond acceptor strength of chemical substances from molecular structure.

J. Schwöbel, G. Schüürmann, R. Kühne, 2009, The journal of physical chemistry. A.

Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters

Ralph Kühne, Johannes Schwöbel, Ralf-Uwe Ebert, 2009, J. Chem. Inf. Model..

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Johann Gasteiger, Andrew P. Worth, Tomasz Magdziarz, 2015, J. Chem. Inf. Model..

COSMOperm: Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions, and its pH Dependence.

J. Schwöbel, A. Klamt, U. Huniar, 2020, The journal of physical chemistry. B.

Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters

Ralph Kühne, Johannes Schwöbel, Ralf-Uwe Ebert, 2009, J. Comput. Chem..

The In Chemico–In Silico Interface: Challenges for Integrating Experimental and Computational Chemistry to Identify Toxicity

David W Roberts, Mark T D Cronin, Steven J Enoch, 2009, Alternatives to laboratory animals : ATLA.

Examination of Michael addition reactivity towards glutathione by transition-state calculations

J. Schwöbel, J. Madden, M. Cronin, 2010, SAR and QSAR in environmental research.

Multi-criteria evaluation of several million working fluids for waste heat recovery by means of Organic Rankine Cycle in passenger cars and heavy-duty trucks

Markus Preißinger, Dieter Brüggemann, Andreas Klamt, 2017 .

Modeling the H bond donor strength of OH, NH, and CH sites by local molecular parameters

J. Schwöbel, G. Schüürmann, R. Kühne, 2009, J. Comput. Chem..

Measurement and estimation of electrophilic reactivity for predictive toxicology.

J. Schwöbel, Y. Koleva, S. Enoch, 2011, Chemical reviews.