Marcel Baltruschat
Position: Research Assistant / PhD Student
Room no.: TU Dortmund University, C2-06-327
Telephone no.: +49 231 755 7957
Member of the group since: May 2019
University degree: M. Sc. Computer Science
Expertise: Bio- and Cheminformatics, Machine Learning, Data Science
Research projects: Since the experimental measurement of pKa values can be time-consuming and expensive, accurate and trustworthy prediction methods are of great interest. We develop an open source pKa prediction tool based on public data that can compete with commercial tools in both functionality and prediction quality.
Publications:
Machine learning meets pK a. In: F1000Research, vol. 9, 2020, ISBN: 2046-1402.