A "bio-cheminformatics" project in progress to predict small molecule-protein interaction strength through a neural net trained on existing interactions from ChEMBL, amino acid sequences, and SMILES strings for a small set of proteins.

11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1) is an enzyme crucial for regulating cortisol, a hormone involved in metabolism, immune response, and stress regulation. Overactivity of 11β-HSD1 is linked to metabolic syndrome, obesity, type 2 diabetes, and inflammation, making it a key target for therapeutic interventions.

This personal project aims to predict the inhibitory potential of small molecules against 11β-HSD1, which could be valuable for drug development. The model will take the molecular structure of small molecules as input and output as a measure of their inhibitory power against 11β-HSD1.