Vladimir A. Palyulin

Virtual Computational Chemistry Laboratory – Design and Description

Igor V. Tetko, Johann Gasteiger, Roberto Todeschini et al. · Journal of Computer-Aided Molecular Design · 2005 · 1.5K citations

Virtual Screening, Engineering, Virtual Engineering +4

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 654 citations · Full text

Engineering, Chemical Analysis, Qsar Modeling +26

Stereochemical studies. XXXIV. Quantitative description of ring puckering via torsional angles. The case of six‐membered rings

N. S. Zefirov, Vladimir A. Palyulin, E. E. Dashevskaya · Journal of Physical Organic Chemistry · 1990 · 243 citations

Materials Science, Engineering, Torsional Angles +9

Prediction of human intestinal absorption of drug compounds

Eugene V. Radchenko, A. S. Dyabina, Vladimir A. Palyulin et al. · Russian Chemical Bulletin · 2016 · 131 citations

Medicine, Gastroenterology, Drug Compounds +6

Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)

Igor I. Baskin, O. L. Slovokhotova, Vladimir A. Palyulin et al. · Journal of Chemical Information and Computer Sciences · 1993 · 104 citations

Engineering, Molecular Shape, Computational Chemistry +16