How to Select a Data Modeling Tool? A good data modeling software tool offers the following features and capabilities: Support for the notations you prefer. Compatibility with all the database ...

To address this challenge, her group combines traditional computational chemistry approaches, including modeling, simulations and theory, with modern data-driven strategies such as machine learning.

The plan is to try to reverse engineer the R1 model to try and understand what data was used to train it, and which components were used in its creation.