About Laboratory

Chemoinformatics and Molecular Modeling Laboratory

Chemoinformatics and Molecular Modeling Laboratory

Chemoinformatics and Molecular Modeling Laboratory was established in 2014. The main purpose of our laboratory is to use data mining tools and variety of molecular modeling technologies for solving practical problems of chemistry.

Researches

The following areas are studied in Chemoinformatics and Molecular Modeling Laboratory:

  • using and development of chemoinformatics and molecular modeling tools for drug design and design of new materials;
  • modeling of organic and metabolic reactions by methods of chemoinformatics: from empirical to predictive chemistry;
  • data mining for translational medicine.

Research work: Using and development of chemoinformatics and molecular modeling tools for drug design and design of new materials

The aim of the project: using data mining tools and the variety of molecular modeling technologies f...

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Igor Antipin

Igor Antipin
Head of Laboratory

Doctor of science, Corresponding Member of the Academy of Science of the Russian Federation.

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Alexandre Varnek

Alexandre Varnek
Invited researcher

Doctor of science.

Head of Laboratory of Chemoinformatics in University of Strasbourg, professor in University of Strasbourg.

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Alex Tropsha

Alex Tropsha
Invited researcher

Doctor of philosophy.

Associate Dean for Pharmacoinformatics and Data Science.

Adjunct Professor in the Biomedical Engineering and Computer S...

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Igor Baskin

Igor Baskin
Invited researcher

Doctor of science.

Leading Research Associate of Chair of Polymer and Crystal Physics and Laboratory of Physical Chemistry of Polym...

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Timur Madzhidov

Timur Madzhidov
Senior Researcher

Researcher

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Elena Tutubalina

Elena Tutubalina
Senior Researcher

Elena Tutubalina is a Senior Researcher at the Chemoinformatics and Molecular Modeling Laboratory at the Kazan Federal University.

She completed her Ph.D. in Computer Science at the Kazan Feder...

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Ramil Nugmanov

Ramil Nugmanov
Senior Researcher

Senior researcher [Data mining, QSPR, WEB]

Senior lecturer [software engineering, chemoinformatics, data mining, python programming]

PhD in Organic Chemistry, thesis title "Synthesis of precu...

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Zulfat Miftahutdinov

Zulfat Miftahutdinov

PhD student
Ilseyar Alimova

Ilseyar Alimova

PhD student
Adelya Khayrullina

Adelya Khayrullina

Assistant
Ravil Muhametgaleev

Ravil Muhametgaleev

PhD student
Arkadii Lin

Arkadii Lin

PhD student
Valentina Afonina

Valentina Afonina

PhD student
Nail Khafizov

Nail Khafizov

PhD student
Marta Glavatskikh

Marta Glavatskikh

PhD student
Timur Gimadiev

Timur Gimadiev

PhD student