검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Application of the Monte Carlo method for building up models for octanol-water partition coefficient of platinum complexes Toropov AA, Toropova AP Chemical Physics Letters, 701, 137, 2018 |
| 2 |
Quasi-SMILES as a tool to predict removal rates of pharmaceuticals and dyes in sewage Toropova AP, Toropov AA, Benfenati E, Castiglioni S, Bagnati R, Passoni A, Zuccato E, Fanelli R Process Safety and Environmental Protection, 118, 227, 2018 |
| 3 |
Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles Toropov AA, Achary PGR, Toropova AP Chemical Physics Letters, 660, 107, 2016 |
| 4 |
Model for electrochemical parameters for 4-(benzylsulfanyl)pyridines calculated from the molecular structure Nesmerak K, Toropov AA, Toropova AP Journal of Electroanalytical Chemistry, 766, 24, 2016 |
| 5 |
CORAL: Model for octanol/water partition coefficient Toropov AA, Toropova AP, Cappelli CI, Benfenati E Fluid Phase Equilibria, 397, 44, 2015 |
| 6 |
QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J, De Nucci G Biochemical and Biophysical Research Communications, 432(2), 214, 2013 |
| 7 |
The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility Toropova AP, Toropov AA, Benfenati E, Gini G, Leszczynska D, Leszczynski J Chemical Physics Letters, 542, 134, 2012 |
| 8 |
Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions Toropov AA, Toropova AP, Benfenati E International Journal of Molecular Sciences, 10(7), 3106, 2009 |
| 9 |
QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors Toropov AA, Toropova AP, Benfenati E Chemical Physics Letters, 461(4-6), 343, 2008 |
| 10 |
QSPR modeling mineral crystal lattice energy by optimal descriptors of the graph of atomic orbitals Toropova AP, Toropov AA, Maksudov SK Chemical Physics Letters, 428(1-3), 183, 2006 |