Discovery Pipeline
From concept to medicine
12 stages of transformation from theoretical molecules to clinical drugs
Computational Phase
100% This is where we specialize
10⁶⁰
Drug-like molecular universe
10⁶⁰Theoretical search space
~10⁸
De novo generative AI
~10⁸Directed molecule generation VAE/GAN
~10⁶
Property filtering
~10⁶Lipinski, solubility, MW
~100k
Fast virtual docking
~100kProtein structural fit
~1,000
AI scoring
~1,000Multiparameter classification
20–100
Biomolecular simulation
20–100Molecular dynamics, MM/PBSA
Experimental Phase
~50
Synthesis + assays
~50In vitro/in vivo, activity, selectivity, cytotox
~20
ADMET ranking
~20Metabolism, toxicity, bioavailability
~10
Preclinical studies
~10Animal models, chronic toxicology
Clinical Phase
~3
Clinical Phase I
~3Safety, human pharmacokinetics
~2
Clinical Phase II
~2Preliminary efficacy, biomarkers
1
Phase III + NDA/BLA
1Confirmed efficacy, approval