HealthTechLife Sciences & Computational Biology202410 months

AI-Accelerated Drug Candidate Screening

78%
Screening Cost Reduction
Per-compound early screening cost
6× faster
Pipeline Acceleration
Candidate selection vs traditional screening
340%
Hit Rate Improvement
Viable candidates per 1,000 compounds screened
2 candidates
IND Application
Advanced to IND-enabling studies within 14 months

The Challenge

A biotech startup was spending $2.8M per compound in early-stage screening, with 94% of candidates failing in pre-clinical phases. Their pipeline for a rare cardiovascular target had stalled with only 8 viable candidates after 3 years.

Our Solution

We built a molecular property prediction system using graph neural networks trained on 14M+ compound-assay pairs from public and proprietary datasets. The system predicts ADMET properties, target binding affinity, and toxicity flags, reducing wet lab screening from 2,000 candidates to the top 40 most promising.

Key Outcomes

78%
Screening Cost Reduction
Per-compound early screening cost
6× faster
Pipeline Acceleration
Candidate selection vs traditional screening
340%
Hit Rate Improvement
Viable candidates per 1,000 compounds screened
2 candidates
IND Application
Advanced to IND-enabling studies within 14 months

Project Details

ClientHelix BioTherapeutics
IndustryHealthTech
Duration10 months
Year2024

Tech Stack

PythonPyTorch GeometricRDKitDeepChemAWS BatchDynamoDBStreamlitDocker

Tags

Molecular AIGraph Neural NetworksDrug DiscoveryBioinformaticsPython

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