Software Developer: Thesis Project
Dipartimento Di Scienze Farmaceutiche - Universita Degli Studi Di Perugia
Perugia, Italia
Context: Master Thesis: Development of AI models applied in Drug Discovery for new immunotherapiesProject’s Description: The aim of the project was to create a Python workflow for the selection of molecules with specific properties in cancer care processes. The obtained model makes use of artificial intelligence technologies combining machine learning models with natural networks.Responsibility: a team of 4 PhD students of Department of Pharmaceutical Sciences, my duty was to design and develop the software. -Design the architecture -Creation of database: collect data from the internet (ChEMBL, DUD-e) clean and join data -Data exploration -Development of the workflow -Training step: select ML and AI models -fitting and optimization -Multimodel stacking implementation -Test step -Analysis of the results.Project presented at the Computational Chemistry Congress,March 28, 2019 to March 29, 2019 - CDDD 6th Meeting, Rome, ItalyTechnologies & Tools: Machine Learning, Deep Learning, Keras(+TensorFLow), ScikitLearn, Pandas, H2O, Knime, Nvidia, Python, csv, Intellij