Anikó Udvarhelyi

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 3

Top Topics

Prediction Error

Linear Equations

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules. J. Comput. Aided Mol. Des. 35 (4) (2021)
Jens Reinisch, Michael Diedenhofen, Rainer Wilcken, Anikó Udvarhelyi, Andreas Glöß
Benchmarking Different QM Levels for Usage with COSMO-RS. J. Chem. Inf. Model. 59 (11) (2019)
Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge. J. Comput. Aided Mol. Des. 32 (10) (2018)