All School and on-line courses lectures

On-line courses

Small molecule drug discovery, Dr. Jan Kriegl. September 29th, 2016

On-line chemoinformatics tools, Dr. Igor Tetko. October 13th, 2016

* Chemoinformatics as a theoretical chemistry discipline (only for BIGCHEM partners), Prof. Alexandre Varnek. October 26, 2016

FreeWilson analysis and R-group QSAR model, Dr. Hongming Chen. November 2, 2016

* Compiling, curating and enriching biochemical data collections (only for BIGCHEM partners), Dr. Bernd Beck. November 16, 2016

Similarity Search, Dr. Uwe Koch. December 7, 2016

Chemical Space Networks and SAR visualization, Dr. Martin Vogt. January 11, 2017

* Phenotypic screening (only for BIGCHEM partners), Dr. Ola Engkvist. February 1, 2017

* De novo design (only for BIGCHEM partners), Dr. Gisbert Schneider. February 22, 2017

* Compound collection informatics (only for BIGCHEM partners), Dr. Thierry Kogej. March 8, 2017

* Introduction to the Reference Interaction Site Model (RISM) (only for BIGCHEM partners), Dr. Ekaterina Ratkova. March 22, 2017

Structure-Activitiy Modelling: QSAR, Uwe Koch. May 3, 2017

Machine learning for chemoinformatics, Dr. Francesca Grisoni. May 17, 2017

Foundations of virtual screening: SAR landscapes, Prof. Jürgen Bajorath. June 7, 2017

Structure-based virtual screening, Prof. Giulio Rastelli. Juni 21, 2017

Computational Approaches for Target Prediction, Dr. Mahendra Awale. July 5, 2017

First School: Introduction to Chemoinformatics. October 17-21, 2016

Big Data in Chemistry, Dr. Igor Tetko

Chemical reactions, Prof. Jean-Louis Reymond

Molecular descriptors, Dr. Dragos Horvath

* KNIME workflow (only for BIGCHEM partners), Dr. Nils Weskamp

* REACH and TOXCAST (only for BIGCHEM partners), Prof. Marc Cronin

* 2D and 3D pharmacophores (only for BIGCHEM partners), Prof. Thierry Langer

Chemoinformatics and drug design in SMEs, Dr. Uwe Koch

Introduction on drug discovery and development, Dr. Hongming Chen

Polypharmacology, Prof. Giulio Rastelli

Molecular graphs, Dr. Al Dossetter

Conformational analysis, Dr. Christof H. Schwab

* Role of structural biology in early drug discovery (only for BIGCHEM partners), Prof. Michael Sattler

Secure computation I, Dr. Serge Fehr

Secure computation II, Dr. Serge Fehr

Research Ethics and Researcher Integrity, Prof. Hella von Unger

Second School: Chemical Data Sources. April 19-21

GDB and the Chemical Space, Prof. Dr. Jean-Louis Reymond

*3D pharmacophores for virtual screening (only for BIGCHEM partners), Prof. Dr. Gerhard Wolber

Large-Scale Predictive Drug Safety, Dr. Jordi Mestres

*Pharmacophores for scaffold-hopping (only for BIGCHEM partners), Prof. Dr. Gisbert Schneider

*An overview of FDA approved small-molecule pharmacopeia (only for BIGCHEM partners), Dr. Dominique Douguet

New challenges in the management of chemical information, Prof. Dr. Luc Patiny

* Big data in chemical safety assessment, challenges and opportunities, (only for BIGCHEM partners) Dr. Manuel Pastor

Screening collection enhancement through open-innovation, Dr. Thierry Kogej

From molecules to molecular descriptors: theory and tips for real-world applications, Dr. Francesca Grisoni

* Chemical Database Auto-Generation Tools for Large-Scale Data-Mining (only for BIGCHEM partners), Prof. Dr. Jacqui Cole