Drug Discovery Division

Where molecules become medicines.

AI-augmented target identification, computational chemistry, and rational drug design — engineered for speed and precision.

Drug discovery hero

Discovery by Numbers

Scale of our search

2.4B

Virtual compounds screened across our in-silico library in 2024.

340

Confirmed hits

62

Optimized leads

11

Development candidates

4.2 yrs

Avg. discovery-to-IND

Our discovery workflow

Six stages from unmet need to development-ready molecule.

01
Target ID
02
Hit Finding
03
Hit-to-Lead
04
Lead Opt
05
In-vivo PoC
06
Candidate Sel
AI computational chemistry
AI & Computation

Generative chemistry, human-guided

Deep learning models propose novel scaffolds; medicinal chemists validate. Cuts lead-optimization cycles by ~40%.

Core capabilities

Target Biology
Genomics-driven target validation
In-silico Design
Structure-based & ligand-based
Med Chem
SAR, scaffold hopping, ADMET
Assay Dev
Biochemical & cell-based screens

Target class expertise

GPCRs
Kinases
Ion channels
Proteases
Nuclear receptors
PPIs
Discovery tech stack

Technology backbone

Chemogenomics Cloud
5PB of curated bioactivity data
GPU Grid
384 A100s for molecular dynamics
High-throughput Screen
384-well robotic automation

Hit-to-lead funnel

Stage 1
2.4B
Virtual compounds
Stage 2
180K
Physical screen
Stage 3
340
Confirmed hits
Stage 4
62
Lead series
Stage 5
11
Candidates
Case Study

Program NVX-217: from target to IND in 3.1 years

3.1 yrs
Target to IND
$14M
Discovery cost
Best-in-class
PK profile

Discovery quality gates

Every candidate meets rigorous ADMET, safety, and developability criteria before nomination.

Selectivity ≥ 100x over off-targets
Oral bioavailability > 30%
hERG IC50 > 10 µM
Clean Ames & micronucleus
Predicted human dose < 200 mg/day
Quality gates

Academic & industry partners

MIT Broad
Scripps
EMBL
Crick Institute
Riken
IISc
Genentech
Schrödinger
Insilico
Recursion
Exscientia
Isomorphic
Partner with discovery

Bring your target to our platform

Discovery-as-a-service, milestone-based partnerships, and out-licensing opportunities.