Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods
David van der Spoel,
Sergio Manzetti,
Haiyang Zhang,
Andreas Klamt
Affiliations
David van der Spoel
Uppsala Center for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden
Sergio Manzetti
Uppsala Center for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden
Haiyang Zhang
Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing, China
