Third International School-Seminar "From Empirical to Predictive chemistry"

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

The Book of abstracts

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 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 wider overview of field. The general conception of the event is cross-education when specialists in one field make 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 design of new chemical entities. 

The Second School-Seminar, 29-30 October 2015, was mainly focused in 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 review of some field of computational chemistry,

  • Key-note lectures with 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).

More about program could be found at Program page where the latest changes are published.

Important dates:

Deadline for registration and abstract submission – March 1, 2018

Preliminary Scientific program  announcement – March  15, 2018

Early bird registration – March 1, 2018

Event days – April 5-7, 2018


Official language is English.

Registration fee:

School-Seminar is free for all participants

September 04, 2018 at 10:46. Ramil Nugmanov