New Project | AI Drug Discovery Platform

Launch New Drug Discovery Project

Enter a target and PDB code. The platform will automatically fetch bioactivity data, train a QSAR oracle, run generative AI, validate compounds, and deliver leads. Fully autonomous.

ChEMBL Data Fetch D-MPNN QSAR Oracle Generative RL Campaign Automated Validation

Target

Target Name *

ChEMBL ID *

Gene Symbol

Primary PDB Code *

Indication

BBB Options

Require BBB penetration — enforce CNS physicochemical constraints (TPSA ≤ 90, HBD ≤ 3, MW 300-480)

Description (optional)

Quick Launch Examples

GSK3B (Alzheimer's)
ChEMBL: CHEMBL262 | PDB: 1J1B
Fill

BACE1 (Alzheimer's)
ChEMBL: CHEMBL4822 | PDB: 4DJU
Fill

CDK5 (Neurodegeneration)
ChEMBL: CHEMBL4036 | PDB: 1UNL
Fill

mTOR (GBM)
ChEMBL: CHEMBL2842 | PDB: 4DRH
Fill (BBB)

What Happens

Fetch bioactivity data from ChEMBL
Train D-MPNN QSAR oracle
Download & prepare PDB structure
Run generative RL campaign (GPU)
Validate: properties, scoring, lead selection
Deliver ranked leads on dashboard

Estimated time: 1-4 hours depending on target.