Pinaki Saha

Created ligand-based predictors using solely QM data and deep learning, producing chemical-space agnostic models for molecular binding.

Applied CNNs to electron density maps of boron nanoclusters for predicting DFT-level energies.

Designed and trained graph neural networks to support AI-based lead discovery workflows.

Performed computational analysis of organo-metallic compounds.

Worked on CADD (molecular docking & QSAR) and developed inhibitors for IDO, JAK3 & MDM2.

Advanced Masters in Artificial Intelligence.

Ph.D. in Computational Chemistry.

M.Tech. in Chemical Synthesis and Process Technologies.

B.Sc. in Chemistry (Hons).