The development and integration of data-driven approaches to improve and facilitate decision making are key priorities in chemical and pharmaceutical companies.
In this symposium, we focus on the exploitation of synthesis data, and on the advances in the analysis and design of new materials and active ingredients. Both areas achieved significant breakthroughs in the most recent years.
Achieving a wide adoption of novel data driven approaches is the ultimate goal in companies but not an easy task to achieve. Successful examples from industry will be presented to overcome this challenge.
Hans Peter Luethi, Swiss Chemical SocietyTorsten Luksch, Syngenta Crop Protection Arndt Finkelmann, Syngenta Crop Protection
Synthesis Automation & PredictionChair: Arndt Finkelmann, Syngenta Crop Protection
Alessandra Toniato, IBM Research«IBMRoboRXN: the autonomous chemical lab bringing together AI, Cloud and Automation»
Marco Stenta, Syngenta Crop Protection«LinChemIn: The Network of Synthetic (Bio-)Chemistry»
Digital Change: New Ways of WorkingChair: Hans Peter Luethi, SCS
Nik Stiefl & Finton Sirockin, Novartis«Citizen data science": from buzzword to MedChem reality»
Eric Alan Baur & Laurens Versluis, F. Hoffmann-La Roche«Digital Transformation in Molecule Planning - Shift to Radical Collaborations»
Active Ingredient & Materials DiscoveryChair: Torsten Luksch, Syngenta Crop Protection
Paul Czodrowski, TU Dortmund«Tbd.»
Daniel Kuhn, Merck Healthcare KgaA«What got you here won't get you there: How ML/AI change the way we work in early drug discovery»
Bruno Betoni Parodi, BASF«BASLEARN – The Berlin Based Joint Lab for Machine Learning»
Elisa Liberatore & Julien Hazemann, Idorsia«Machine Learning Drug Design (MLDD) and SARS-CoV-2 Mpro Inhibitor Discovery»
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