List of works - Timur Madzhidov

Assessment of tautomer distribution using the condensed reaction graph approach.

scientific article published on 29 January 2018

Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis

scientific article

Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis

scientific article published on 23 November 2018

CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data

scientific article published on 29 November 2021

CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing

scientific article published on 28 May 2019

Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions

scientific article published on 03 August 2020

Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules

scientific article published on 12 November 2019

Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094

scientific article published on 18 March 2019

Development of “structure-property” models in nucleophilic substitution reactions involving azides

article

Dimethyl selenide complexes with compounds of Group IIIA elements: electron density redistribution and interaction energy partitioning

Electrochemically driven molecular rotors based on ferrocene-1,1'-diyl-bisphosphinic acids

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

scientific article

Experimental and theoretical study on 6-substituted pyridoxine derivatives. Synthesis of cyclic 2,4,5,6-tetrakis-(hydroxymethyl)pyridin-3-ol acetonides

HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation

scientific article published in 2022

Hydration of copper(II) amino acids complexes.

scientific article published on 28 December 2017

Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures

Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules

scientific article published on 25 November 2015

Predictive Models for Kinetic Parameters of Cycloaddition Reactions

scientific article published on 22 August 2018

Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds

scientific article published on 16 August 2016

Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores

scientific article published on 17 January 2020

Quantum-chemical investigation of structure and reactivity of pyrazol-5-ones and their thio- and seleno-analogs: X. Solvent effect on the chemical shifts of nuclei in the molecules of 3-methylpyrazol-5-ones and 1-phenyl-3-methylchalcogenepyrazol-5-on

article

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

scientific article published on 27 July 2017

Structure-reactivity relationships in terms of the condensed graphs of reactions

Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach

Structure–reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction

The nature of the interaction of dimethylselenide with IIIA group element compounds.

scientific article published on 7 May 2013

The nature of the interaction of organoselenium molecules with diiodine

scientific article published on 12 August 2011

Theoretical and experimental study on cyclic 6-methyl-2,3,4-tris(hydroxymethyl)pyridin-5-ol acetonides

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations

scientific article published on 20 November 2019

Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria

scientific article published on 24 July 2018

“Additive” cooperativity of hydrogen bonds in complexes of catechol with proton acceptors in the gas phase: FTIR spectroscopy and quantum chemical calculations

scientific article published on 02 February 2012

List of works by Timur Madzhidov