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Pharma & Biotech

Accelerating Drug Discovery By AI-Driven Molecule Generation

For a series B biotech company working on skin rejuvenation therapies.

12x

Less drug candidates in HTS

37

Molecules confirmed active through wet lab validation

10x

Faster preclinical narrowing compared to baseline

Case Studies

AI Molecule Generation Platform to speed up early-stage drug discovery in skin rejuvenation.

Pharma & Biotech

Industry

USA

Location

Generative AI modeling, transcriptomic analysis, pathway prediction, model validation

Services

$100,000–$200,000

Budget

Challenge

Identifying and prioritizing novel small molecules for skin rejuvenation using transcriptomic data and pathway analysis — in a scalable, efficient way to support early-phase drug development.

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Outcomes We Deliver

Solution

Blackthorn AI delivered a pipeline that combined generative AI, pathway graphs, and omics data ingestion to power molecule generation. The system enabled fast iteration, integration of biological constraints, and reduced reliance on trial-and-error lab synthesis.

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Dalriada
Tech Stack

To accelerate molecule discovery, Blackthorn AI used:

Python
PyTorch
Docker
Roadmap

Project duration

1–2 Months

Initial Model & Analysis

Developed baseline predictive models from transcriptomics data and performed differential gene expression analysis.

3–4 Months

Pathway Mapping & Feature Design

Integrated pathway-level biological data to prioritize targets and refine compound features.

5–6 Months

Data Expansion & Model Training

Ingested additional RNASeq datasets and trained PerturbNet for more accurate compound activity prediction.

7–8 Months

Molecule Generation & Filtering

Generated thousands of novel compound candidates with skin rejuvenation potential using LLM-based tools.

9–10 Months

Handoff & Reporting

Finalized delivery, transferred documentation and results, and prepared for wet-lab validation phase.

Team Size

2 team members from Blackthorn.ai
1 x Senior Bioinformatician
1 x AI Research Engineer

Delivering Impact

Beyond the values already highlighted, there’s even more to discover. Our commitment to innovation, client success, and impactful results sets us apart.

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37

Molecules

Confirmed active compounds in wet lab – significantly validating model accuracy and ROI.

9

Months

Saved in candidate discovery

12x

Less

Drug candidates in wet lab HTS

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