List of works - Pavel G. Polishchuk

'Quasi-Mixture' Descriptors for QSPR Analysis of Molecular Macroscopic Properties. The Critical Properties of Organic Compounds.

scientific article published on 2 September 2014

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

scientific article published on 27 December 2010

Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds.

scientific article

Application of random forest approach to QSAR prediction of aquatic toxicity

scientific article published on 01 November 2009

Benchmarks for interpretation of QSAR models

scientific article published in 2021

Control of Synthetic Feasibility of Compounds Generated with CReM

scientific article published on 09 November 2020

Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents

scientific article published on 14 September 2015

Estimation of the size of drug-like chemical space based on GDB-17 data.

scientific article

Existing and Developing Approaches for QSAR Analysis of Mixtures.

scientific article

Interpretation of QSAR Models Based on Random Forest Methods

scientific article published in June 2011

Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future.

scientific article published on 26 September 2017

Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.

scientific article published on 24 June 2016

Predictive QSPR Modelling for the Second Virial Coefficient of the Pure Organic Compounds.

scientific article published on 8 January 2015

Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores

scientific article published on 17 January 2020

QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids

scientific article published on 6 July 2012

RGD mimetics containing phthalimidine fragment as novel ligands of fibrinogen receptor

scientific article published on 26 July 2011

Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis

scientific article published on 15 July 2016

Structure-reactivity modeling using mixture-based representation of chemical reactions.

scientific article published on 27 July 2017

Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3.

scientific article

Universal Approach for Structural Interpretation of QSAR/QSPR Models.

scientific article published on 16 September 2013

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations

scientific article published on 20 November 2019

List of works by Pavel G. Polishchuk

'Quasi-Mixture' Descriptors for QSPR Analysis of Molecular Macroscopic Properties. The Critical Properties of Organic Compounds.

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds.

Application of random forest approach to QSAR prediction of aquatic toxicity

Benchmarks for interpretation of QSAR models

Control of Synthetic Feasibility of Compounds Generated with CReM

Design, Virtual Screening, and Synthesis of Antagonists of αIIbβ3 as Antiplatelet Agents

Estimation of the size of drug-like chemical space based on GDB-17 data.

Existing and Developing Approaches for QSAR Analysis of Mixtures.

Interpretation of QSAR Models Based on Random Forest Methods

Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future.

Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.

Predictive QSPR Modelling for the Second Virial Coefficient of the Pure Organic Compounds.

Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores

QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids

RGD mimetics containing phthalimidine fragment as novel ligands of fibrinogen receptor

Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis

Structure-reactivity modeling using mixture-based representation of chemical reactions.

Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin αIIbβ3.

Universal Approach for Structural Interpretation of QSAR/QSPR Models.

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations