The Third International School-Seminar “From Empirical to Predictive chemistry” (E2PC2018) was held in Kazan on 5-7 April, 2018.

The Book of abstracts accepted for presentation in the Third International School-Seminar “From Empirical to Predictive chemistry” is available under the link.

About the School-seminar

The School-seminar is a regular event organized in the framework of the project 14-43-00024 funded by Russian Science Foundation that is mainly designed to establish new connections between theoretical chemists in order to make a wider overview of the field. The general conception of the event is cross-education when specialists in one field make an accessible presentation of their findings or overview of the field. This will help to access synergetic effect in developing of theoretical chemistry and molecular modeling.

The First School-Seminar, 28-29 November 2014, gathered experts in chemoinformatics, quantum chemistry and synthetic chemistry aiming to share their experience in the design of new chemical entities.

The Second School-Seminar, 29-30 October 2015, was mainly focused on the application of QSAR approaches for modeling different chemical objects.

The Symposium “From Empirical to Predictive Chemistry”, 26-30 September 2016, was a satellite event of the XX Mendeleev Congress on General and Applied Chemistry , the largest Russian scientific event focusing on fundamental and applied chemical research and gathered specialists in different fields of computational chemistry including chemoinformatics, molecular modeling, force field molecular mechanics and dynamics, quantum chemistry to discuss recent trends and achievements in the field.

The main topics of the School-Seminar include:

  • Nowadays Approaches to Structure-Property Relationships,

  • Modeling of Synthetic and Metabolic Reactions,

  • Modeling in Drug Discovery,

  • Materials Design,

  • Chemical Information: Storage, Retrieval, and Knowledge Extraction,

  • Other Applications of Computational Chemistry

Program includes:

  • Lectures with the review of some field of computational chemistry,

  • Key-note lectures with the presentation of particular work,

  • Oral presentations of young scientists,

  • Poster session,

  • Tutorial “Python in Chemoinformatics”, including basic Python programming (1 tutorial), RDKit usage for chemical information management (1 tutorial), Sklearn and Pandas usage for QSAR modeling (1 tutorial).


English is the official language of the event.


Scientific supervisor:

Professor Alexandre VARNEK

Chairman of the Organizing Committee:

Professor Igor ANTIPIN

Scientific Secretary:


Local Committee:

  • Dr. Nugmanov Ramil

  • Dr. M.A. Kazymova

  • V.A. Afonina

  • T.R. Gimadiev

  • Dr. N.I. Ivanova

  • N.R. Khafizov

  • Khayrullina A.

  • Dr. S.A. Neklyudov