We make molecular design efficient.

We're setting the standard for effective, efficient, and scalable molecular AI — one model at a time.

95%

Better accuracy than traditional computational methods

18mo

Average time reduction in lead optimization

>1M

Molecular structures processed and optimized

$2.6B

Cumulative R&D costs saved for pharmaceutical partners

Our solutions are trusted by:

We lead the pack in molecular AI.

Our flagship algorithms and advanced AI models are the only molecular design, optimization, and prediction platform on the market today, delivering unprecedented accuracy and speed in computational drug discovery.

Molecular Design & Optimization

Our advanced generative AI models create novel molecular structures with optimized properties for specific therapeutic targets. Using state-of-the-art deep learning architectures, we can design molecules with precise pharmacokinetic and pharmacodynamic profiles.

  • De novo drug design with target specificity
  • Lead compound optimization and scaffolding
  • Multi-parameter optimization (ADMET properties)
  • Fragment-based drug design acceleration
  • Bioisostere identification and replacement

Predictive Analytics

Leverage machine learning models trained on massive datasets to predict molecular properties, toxicity profiles, and bioactivity with exceptional accuracy. Our models integrate quantum mechanical calculations with experimental data.

  • ADMET prediction with 95%+ accuracy
  • Toxicity and safety profile assessment
  • Bioactivity and target affinity prediction
  • Synthetic accessibility scoring
  • Drug-drug interaction prediction

Chemical Space Exploration

Navigate vast chemical space efficiently using AI-guided exploration algorithms. Our platform identifies novel chemical regions with high probability of containing active compounds for specific targets.

  • Intelligent chemical space sampling
  • Diversity-oriented compound selection
  • Novelty assessment and patent landscape analysis
  • Virtual compound library generation
  • Structure-activity relationship modeling

Synthesis Planning

AI-powered retrosynthetic analysis provides optimal synthetic routes for target molecules. Our algorithms consider cost, feasibility, and green chemistry principles to recommend the most efficient synthetic pathways.

  • Retrosynthetic route prediction
  • Synthetic complexity assessment
  • Reagent and catalyst recommendation
  • Green chemistry optimization
  • Scale-up feasibility analysis

We solve real problems.

Guided by our own frustrations working in the pharmaceutical industry, we're focused on solving the most time-consuming bottlenecks medicinal chemists face each day. Our platform transforms the drug discovery pipeline from target identification to clinical candidate selection.

1

Target Analysis

Analyze protein structure, binding sites, and known inhibitors to understand target characteristics and druggability.

2

Molecular Generation

Generate diverse chemical libraries using AI models trained on millions of bioactive compounds and known drug-target interactions.

3

Property Prediction

Predict ADMET properties, toxicity profiles, and biological activity using state-of-the-art machine learning models.

4

Optimization & Selection

Iteratively optimize lead compounds for multiple properties while maintaining synthetic accessibility and novelty.

We meet you where you are.

Nobody enjoys being locked into a single interface and deployment model, so why do that to your clients? Our molecular AI models and APIs can be accessed either via our native platform or through your existing computational chemistry workflows, with continuous availability, minimal latency, and strict information controls.

Cloud Platform

Access our complete suite of molecular AI models and algorithms via a secure, scalable cloud platform with continuous availability, minimal latency, and enterprise-grade security controls.

On-Premise Deployment

Deploy our molecular AI models within your own infrastructure for maximum data control and security. Includes all models and algorithms with on-site support and maintenance.

API Integration

Seamlessly integrate our molecular prediction and design capabilities into existing computational workflows through RESTful APIs with comprehensive documentation and SDKs.

Ready for frontier molecular AI?

We acknowledge the Wurtz-Fittig synthesis and our respect to their efforts, and our respect to their efforts and present, who are the foundation of all chemistry on which modern is based.

Transform your drug discovery pipeline with cutting-edge AI. Our platform accelerates every stage from target identification to clinical candidate optimization, reducing timelines from years to months while maintaining the highest standards of accuracy and reliability.

Accelerate discovery. Reduce costs. Maximize success.

Join leading pharmaceutical companies in revolutionizing drug discovery with AI-powered molecular design.

Ready for frontier molecular AI?

Transform your drug discovery pipeline with our cutting-edge AI platform. Contact us to learn how we can accelerate your research and reduce development timelines.

hello@unsolicitedhq.com
919-671-0114
314 Amalfi Dr, Santa Monica, CA 90402
unsolicitedhq.com