A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents

Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, +5

Journal of Chemical Information and Computer Sciences

Solvent ExtractionExtended Qspr ModelingEngineeringChemical AnalysisOrganic Chemistry +16

Nitrobenzene toxicity: QSAR correlations and mechanistic interpretations

Alan R. Katritzky, Polina V. Oliferenko, Alexander A. Oliferenko, +2

Journal of Physical Organic Chemistry

Chemical SafetyAquatic ToxicitySubstituted NitrobenzenesMedicineForensic Toxicology +12

Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay

Polina V. Oliferenko, Alexander A. Oliferenko, Gennadiy Poda, +8

PLoS ONE

Molecular DockingMolecular RecognitionMedicinal ChemistryVirtual ScreeningScaffold Hopping +13

A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents

Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, +5

Journal of Chemical Information and Computer Sciences

Solvent ExtractionQspr PredictionEngineeringOrganic ChemistryComputational Chemistry +14

Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds

Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, +4

Journal of Chemical Information and Computer Sciences

Computer-assisted rational design, synthesis, and bioassay of non-steroidal anti-inflammatory agents

Adel S. Girgis, Srinivasa R. Tala, Polina V. Oliferenko, +2

European Journal of Medicinal Chemistry

Medicinal ChemistryAnti-inflammatoryBioorganic ChemistryBiochemistryNatural Sciences +6

Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies

Mohamed A. Ibrahim, Siva S. Panda, Alexander A. Oliferenko, +10

Organic & Biomolecular Chemistry

Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by Molecular Field Topology Analysis

Farukh Jabeen, Polina V. Oliferenko, Alexander A. Oliferenko, +4

European Journal of Medicinal Chemistry

BiochemistryDual InhibitionNatural SciencesGlycobiologyMolecular Biology +6

Aqueous Biphasic Systems. Partitioning of Organic Molecules:  A QSPR Treatment

Alan R. Katritzky, Kaido Tämm, Minati Kuanar, +5

Journal of Chemical Information and Computer Sciences

Chemical EngineeringEngineeringChemical AnalysisAqueous Biphasic SystemsSmall Organic Probes +13

Prediction of gas solubilities in ionic liquids

Alexander A. Oliferenko, Polina V. Oliferenko, Kenneth R. Seddon, +1

Physical Chemistry Chemical Physics

Materials ScienceSolid-state IonicChemical EngineeringEngineeringChemical Analysis +13