AI-Guided Experimentation for Chemical R&D

Redefine what's possible with your chemistry

SuntheticsML turns the data you already have into a clear path forward and guides R&D teams  to the experiments and results that drive their next breakthrough.

Proven with leading teams

Peer-reviewed with Merck and Boehringer Ingelheim in Biochemistry and Org. Process Res. Dev.

Peer-Reviewed Research

Published results from R&D leaders

Boehringer Ingelheim
Frugal Sampling Strategies for Navigating Complex Reaction Spaces

How small, well-chosen sets of experiments can map complex reaction spaces that would otherwise take a full screen.

Merck
High-Throughput Algorithmic Optimization of In Vitro Transcription for SARS-CoV-2 mRNA Vaccine Production

Algorithmic optimization of in vitro transcription, tuning an mRNA vaccine production process with fewer runs.

Stamato Solutions
AI Driven Machine Learning Modeling for Process Characterization of Dynamic Freeze Drying (Lyophilization) After Spray Freezing

Machine learning modeling to characterize a dynamic freeze drying process after spray freezing.

Built for the R&D teams where every experiment counts.

By the numbers:

up to
75
%

fewer experiments than traditional DoE

up to
32
x

faster than traditional DoE and HTE

up to
99
%

prediction accuracy in guided campaigns

Who we work with

SuntheticsML works where experimental complexity is highest and every failed run is expensive. It adapts to your chemistry, whatever you’re optimizing.

Pharmaceuticals
Reaction and process optimization across drug development, from route scouting to formulations and manufacturing scale-up.
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CRO & CDMO
Reach client objectives within required timelines. Improve internal process and method development.
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Cosmetics
Optimize formulation and product development, balancing properties, performance, and cost.
Materials
Characterize your process and performance drivers. Ensure you move forward with the optimum.

See what's possible with your data

Bring us one problem and we'll show you how SuntheticsML guides your team to better answers, faster.

Contact us

What SuntheticsML does

Make complex chemistry clear

SuntheticsML learns from your data and points to the experiments that matter, so your team reaches its objectives in fewer rounds.

Why SuntheticsML

Built for complex science, proven in practice

SuntheticsML models the interacting variables and high-dimensional spaces trial and error can't, with results that hold up in peer-reviewed research and scale from one scientist to enterprise teams.

Proven and validated

Trusted by leading industrial pharma and chemical innovators, SuntheticsML platform is thoroughly validated with scientists to confidently deliver results.

Delivers measurable value

Your team defines the objectives, Sunthetics ensures you achieve them faster.

Easy to use and implement

No coding, ML, or data science expertise required. We work with your team to enable smooth adoption across your organization so scientists can focus on science.

Built for chemistry

Cutting edge models integrate chemical properties into your data for optimal analytical performance.

Solution to complexity

Navigate complex, noisy, or limited data while optimizing across multiple scientific goals.

Enterprise-grade security for data and IP

SOC 2 and ISO 27001 certified. Your experimental data is encrypted, isolated, and never used to train anyone else's models.

From our team

Publications
Read our peer-reviewed research
News
Bayesian Optimization for Chemical and Pharmaceutical Process Development
Product Update
Introducing Lithium, our cutting edge ML algorithm tailored for R&D

Recognition & Milestones

Building the future of autonomous chemistry

Selected by the NSF in 2026 for a $19.5M program to help build a national AI-driven chemistry labwith Scripps Research and UCLA.

2025
‍
Green
Chemistry
Award

ACS GCI Pharmaceutical Roundtable, received with Merck

Common Questions

Frequently asked questions

How much data does it need?
How is it different from traditional DoE?
How do I get started with SuntheticsML?

See what's possible with your data.

Bring us one problem and we'll show you how SuntheticsML guides your team to better answers, faster.

Contact us