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Mini-symposium - Advances in Computer-Aided Molecular Design

College Doctoral Européen, 22th February 2019

08:45-09:00 Opening  
09:00-09:40 Prof. Kimito FUNATSU, University of Tokyo, Japan Direction on Development of Mechanism-Based Toxicity Prediction System (AI-SHIPS)
09:40-10:10 Prof. Masaaki KOTERA, University of Tokyo, Japan Computational identification of biosynthetic units for the understanding of secondary metabolism
10:10-10:35 Dr. David RINALDO, Schrödinger Accelerating Drug Discovery with Advanced Computational Modeling and Deep Learning
10:35-11:00 Coffee Break  
11:00-11:40 Prof. Jürgen BAJORATH, University of Bonn, Germany The Promiscuity Cliff Concept: Extensions and Applications
11:40-12:05 Dr. Adam ARANY, Katholieke Universiteit, Leuven, Belgium Novel machine learning methods in computational chemistry