Virtual screening based on one-class classification

Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of S N 1 rate constants by means of QSPR

Estimation of ionization constants for different classes of organic compounds with the use of the fragmental approach to the search of structure-property relationships

Generation of chemical structures on the basis of QSAR models of molecular field topology analysis

Method of continuous molecular fields in the one-class classification task

Synthesis and structure of (1S)-{2-[(1S)-hydroxyethyl]phenyl}-1-phenyl-2,2,2-trifluoroethanol

Modeling of atomic RESP charges with the use of topological calculation schemes

Prediction of rate constants of S N 2 reactions by the multicomponent QSPR method

Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies

New method for the synthesis of 1-aminospiro[2.2]pentane-1,4-dicarboxylic acid

Parameterization of empirical schemes of partial atomic charge calculation for reproducing the molecular electrostatic potential

Topographic Correction of 3D SIMS Images

Sims image analysis of D2O migration in ZrO2 thin films

Analysis of three-dimensional SIMS images using image cross-correlation spectroscopy

Resolution enhancement of x-ray photoelectron spectra by maximum entropy deconvolution

Application of parallel factor analysis and x-ray photoelectron spectroscopy to the initial stages in oxidation of aluminium. II. The O 1s photoelectron line

Radical Copolymerization of 2-(3′-Acryloxy)propoxythioxanthone and 1-Methyl-4-(3′-acryloxy)propoxythioxanthone with Methyl Methacrylate

Whence Come Meteorites?

Gustav Rose

Geology in America