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Lectures:

Lectures “Computer-aided drug development: structure and ligand-based approaches” in University of Silesia (Katowice, Poland)

1. Strategies in drug discovery - download pdf
2. Ligand-receptor interactions - download pdf
3. Pharmacophore modeling - download pdf
4. Molecular docking - download pdf

Lectures "Machine learning methods with applications in R" (English/Russian mix from different authors)

• k-Nearest neighbors. E. Varlamova. download pptx
• Decision trees, Random Forest, Gradient boosting. P. Polishchuk. download pdf
• Naive Bayes. E. Varlamova. download pptx
• Support Vector Machine. E. Mokshyna. download pptx
• Atrificial neural nets, self-organizing Kohonen maps. T. Khristova. download pptx

Presentations:

3rd Kazan Summer School on Chemoinformatics (Kazan, Russia, 5-7 July 2017)

• Virtual screening in drug discovery - download pdf

XX Mendeleev congress on general and applied chemistry (Ekaterinburg, Russia, 26-30 September 2016)

• Structure-based drug design - download pdf

International School-Seminar on Computer-Aided Molecular Design (Kazan, Russia, 18-20 May 2016)

• Interpretation of QSAR models: past and present - download pdf

2nd Kazan Summer School of Chemoinformatics (Kazan, Russia, 6 July - 9 July 2015)

• Applications of the mixtures representation approach in QSAR modeling - download pdf

EMBL-EBI industry workshop "In silico ADMET prediction" (Hinxton, UK, 4 December - 5 December 2014)

• Exploring the black box: structural and functional interpretation of QSAR models. (Automatic exploration of datasets using QSAR) - download pdf

20th EuroQSAR-2014 (Saint-Petersburg, Russia, 31 August – 4 September 2014)

• Structural and functional interpretation of QSAR models - download pdf

Methods and Applications of Computational Chemistry - 5 (MACC-5, Kharkiv, Ukraine, 1 – 5 July 2013)

• Structural interpretation of QSAR models – a universal approach - download pdf
• Study of the second virial coefficients: new challenge for QSPR - download pptx
• Nanoparticles: unusual QSAR for unusual structure - download ppt
• Two-layer QSPR model for prediction of organic compounds aqueous solubility at various temperatures - download ppt

Application of Random Forest to QSAR tasks

download pps