What Kebotix does

Kebotix is an AI-driven materials discovery company headquartered in Cambridge, Massachusetts, that operates what it describes as the world's first self-driving laboratory for chemicals and materials R&D. Founded in 2017 and publicly launched from The Engine accelerator in late 2018, the company integrates artificial intelligence, machine learning, physical modeling, and lab robotics into a closed-loop predict-produce-prove cycle designed to compress the time and cost of discovering novel specialty chemicals, polymers, pigments, coatings, OLED materials, and other functional materials that would otherwise require years of conventional bench-scale experimentation. The platform targets enterprise customers in chemicals, materials, pharmaceuticals, agriculture, energy, and government, with named engagements including Koura, Mitsubishi Chemical, Johnson Matthey, Valqua, Bayer, bp, NCATS, EPA, the University of Toronto, and Northeastern University.

The technology stack centers on three proprietary, trademarked products. ChemOS™ is an enterprise SaaS platform that orchestrates lab instruments, coordinates workflows, and applies active-learning algorithms to optimize synthesis and process chemistry. ReactionSage™ is an AI model that generates forward and retrosynthesis pathways beyond traditional rule-based systems, trained on large-scale reaction and patent-literature data. Automus™ is a digital platform that empowers lab researchers through closed-loop automated experimentation. The company also offers ChemOS Pro for advanced enterprise use cases and complete Materials Innovation Programs delivered through its self-driving lab. Integrations with third-party computational chemistry software, such as Netherlands-based SCM for density functional theory and molecular dynamics, extend the platform's reach.

Kebotix monetizes through a direct enterprise sales motion with custom, quote-based pricing and multi-year contracts, typically following a pilot → deployment → scaling arc. Customers access the technology through enterprise SaaS licensing of ChemOS™, standalone engagement of Automus™, or fully managed Materials Innovation Programs. The company has raised approximately $30 million cumulatively across a seed round, an $11.4 million Series A led by Novo Holdings in April 2020, a $15 million NSF partnership grant in 2021, and additional exempt offerings through 2024. Operations span four locations: Cambridge and Woburn, MA; Toronto, Canada (via wholly owned subsidiary Kebotix Canada); and Portland, ME (via a partnership with Northeastern University's Roux Institute). The management team is led by CEO and founder Jill S. Becker, with Chief Science Officer Semion Saikin, Chief Commercial Officer Christoph Kreisbeck, and Chief Visionary Officer Alán Aspuru-Guzik.

Name

Kebotix

Legal name

Kebotix, Inc.

Website

https://kebotix.com

Company type

Private

Founded year

2018

Operating status

Operating

Headcount range

11–50 employees

Short description

Kebotix operates an AI-driven self-driving laboratory for chemicals and materials R&D, serving enterprise customers in chemicals, pharma, agriculture, energy, and government through its ChemOS, ReactionSage, and Automus platforms.

Ownership category

akta.pro rank

Product category

AI-powered materials discovery and computational chemistry software

NAICS

Research and Development in Biotechnology (except Nanobiotechnology) (541714), Analytical Laboratory Instrument Manufacturing (334516), Navigational, Measuring, Electromedical, and Control Instruments Manufacturing (3345)

SIC

Services-Commercial Physical & Biological Research (8731), Laboratory Analytical Instruments (3826), Industrial Instruments For Measurement, Display, And Control (3823)

akta.pro primary industry

AI/ML Engineering & Model Development Services (BPAEAHAF)

akta.pro secondary industries

Model Deployment, Serving & Inference Platforms (HDAAABAF), Custom Synthesis & Technical Active Ingredient (AI) Manufacturing (intermediates, actives) (AFABAIAI)

Keywords

• AI materials discovery
• Self-driving lab
• Chemistry workflow automation
• AI-driven R&D
• Molecular design platform

Headquarters

HQ city

Cambridge

HQ country

United States

HQ region

North America

Offices4 records

Markets served

GTM type

B2B

Offering type

Software

Cost components

Technology or R&D, Personnel, Operations, Infrastructure, Marketing or Sales, Supply Chain

Revenue model

1. Enterprise AI Solutions: Provides technology access to digital R&D solutions including ChemOS™ and complete end-to-end materials innovation programs. Revenue generated through enterprise licensing and service contracts with major chemicals, materials, and manufacturing companies.
2. Materials Innovation Programs: Complete materials innovation programs delivered to partners. Includes pilot phase, deployment phase, and scaling phase. Revenue from project-based engagements and long-term service agreements.
3. Software Licensing (ChemOS™): Enterprise SaaS solution for customers ready to bring their labs into the 21st century. ChemOS™ provided as software platform licensing.

Pricing tiers

Go-to-market motion1 record

Distribution channels4 records

Marketing channels7 records

Core offering

Kebotix sells an enterprise AI platform for chemicals and materials discovery, delivered as the ChemOS™ SaaS workflow orchestration product and the ReactionSage™ reaction-pathway prediction tool, integrated with a proprietary closed-loop self-driving lab that combines cloud computing, machine learning, physical modeling, and lab automation. Customers license the software and/or engage Kebotix for full end-to-end materials innovation programs structured as pilot, deployment, and scaling phases. Target buyers are enterprise R&D organizations in chemicals, materials, pharmaceuticals, agriculture, and energy.

Product overview

Kebotix is a technology platform company offering a comprehensive suite of AI-powered tools for chemicals and materials discovery. The core offering consists of ChemOS™ (workflow orchestration and synthesis optimization), ReactionSage™ (AI-powered reaction pathway prediction), and Automus™ (digital platform for lab researchers). These products are delivered through a closed-loop self-driving lab architecture that integrates machine learning, physical modeling, and robotics automation. The platform enables rapid discovery of novel chemicals and materials by combining generative AI models for inverse design, active learning algorithms, and high-throughput virtual screening.

Differentiator

Problem solved

Functional benefit

Brands

• ChemOS: Platform that integrates lab instruments, coordinates complete workflow, and collects data in AI-processable format for chemistry optimization.
• ReactionSage
• Automus

Products and services

• ChemOS™ Enterprise SaaS platform that integrates lab instruments, orchestrates the complete chemistry workflow, and collects experimental data in AI-processable format to optimize chemical synthesis and process chemistry with active-learning-powered algorithms. Sold to enterprise chemicals and materials R&D organizations.
• ReactionSage™ AI-driven reaction pathway prediction tool that uses deep learning over millions of reactions to suggest novel and diverse forward and retro synthesis routes beyond traditional rule-based expert systems. Marketed to chemists and enterprise R&D groups in chemicals and pharmaceuticals.
• Automus™ Digital platform that empowers lab researchers and increases R&D productivity by automating the scientific method using Kebotix's proprietary closed-loop process to predict and produce new chemistries.
• ChemOS Pro Enterprise-tier version of ChemOS that develops machine learning models via proprietary active learning optimization algorithms for advanced materials discovery applications. Used with enterprise customers such as Johnson Matthey for catalytic converter coating optimization.
• Enterprise AI Solutions (digital R&D solutions) Bundle of AI-powered digital R&D capabilities including materials informatics, computational modeling, formulation and process optimization, and inverse molecular and material design, sold to enterprise R&D organizations in chemicals, materials, and manufacturing.
• Materials Innovation Programs End-to-end materials innovation programs delivered to enterprise partners through pilot, deployment, and scaling phases, producing novel materials candidates tailored to specific customer applications such as coatings, polymers, OLED emitters, and crop protection molecules.

Quantifiable outcome

• Reduced experimental time from 49 hours to 9 hours (82% reduction) for NCATS collaboration
• +4 more outcomes

Named customers10 records

Segments5 records

Ideal customer profiles4 records

Technology focussed Yes

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

AI capability6 records

Feature8 records

Partnerships

15 partnerships are on record, tiered core, flagship and minor.

• Koura (formerly Mexichem Fluor)coreStrategic or Co-development PartnerPartnership for discovery of environmentally friendly high-performance materials. Discovered materials in 3 months instead of typical 3+ years at significant cost reduction. Koura is a major global provider of products and solutions across multiple industrial sectors.
• NCATS (National Center for Advancing Translational Sciences)coreStrategic or Co-development PartnerCollaboration to deliver new treatments and cures for diseases faster. AI-driven optimization of assay conditions for biosynthesis inhibitors reduced experimental time from 49 hours to 9 hours.
• bpcoreStrategic or Co-development PartnerTesting AI tools for designing new molecules and materials. Collaboration explored how AI and digital technologies can shorten design process. Project ran August 2019 to May 2020.
• Mitsubishi Chemical CorporationcoreStrategic or Co-development PartnerPartnership to tackle toxicity by discovering substitute for Bisphenol A (BPA). MCC selected Kebotix to expand long-standing effort to solve environmental problems with greener chemistry.
• Johnson MattheycoreStrategic or Co-development PartnerCatalytic converter optimization project using ChemOS™ Pro technology. Project to discover innovative methods to increase efficiency of experiments for coating formulations optimization. Supports JM's digital strategy.
• ValquacoreStrategic or Co-development PartnerThree-year deal to transform Valqua's R&D process. After successful 6-month POC, partnership expanded to new material development program for sealing products and high-performance plastics. Reduced testing protocol times by up to 50%.
• BayercoreStrategic or Co-development PartnerCollaboration to speed delivery of agricultural innovations and crop protection solutions. Kebotix AI accelerates synthesis of new molecules within Bayer's Crop Science R&D program for faster delivery to farmers worldwide.
• University of TorontocoreStrategic or Co-development PartnerPartnership to evaluate new class of OLED molecules developed and patented by the university. Kebotix's closed-loop innovation platform accelerates time-to-market for next-generation OLED emitters.
• EPA (Environmental Protection Agency)coreStrategic or Co-development PartnerSBIR funding to develop safe diarylide pigment alternatives. Program uses machine-learning platform to develop pigments that do not produce PCBs and other toxic byproducts.
• SCM (Software for Chemistry & Materials)coreTechnology or IntegrationStrategic partnership with Netherlands-based computational chemistry software company. Integrates atomistic simulations with AI-driven workflows. Combines SCM's density functional theory and molecular dynamics with Kebotix's machine learning techniques.
• Colorado School of MinesflagshipStrategic or Co-development PartnerIndustry partner of $15-million Institute for Data Driven Dynamical Design (ID4) funded by NSF. Kebotix collaborates with 11 universities including Harvard, Northwestern, Princeton to harness data for accelerated materials discovery.
• Northeastern University's Roux InstitutecoreStrategic or Co-development PartnerPartnership to establish office and research footprint in Maine. Enables talent pipeline across region and collaboration with world-class academic researchers. Second collaboration with Northeastern after cancer research project.
• C2I (Creagen Incubator)minorStrategic or Co-development PartnerChemistry-focused accelerator in Woburn, MA where Kebotix established its second research lab. 1,000 square feet facility with experienced organic chemistry team led by Raj Rajur.
• MIT Startup ExchangeminorGTM or Marketing PartnerPartnership through MIT's ecosystem for corporate partnerships. Connected Kebotix with Valqua at MIT Japan Conference in Tokyo.
• John Warner (Advisor)coreStrategic or Co-development PartnerGreen chemistry pioneer joins as advisor on innovation, sustainability and green chemistry. Will integrate 12 Principles of Green Chemistry into Kebotix's AI/ML methods. Co-author of defining text 'Green Chemistry: Theory and Practice'.

Scale indicators7 records

Recent moves8 records

Expansion highlights6 records

Direct peers

• Citrine Informatics: AI platform purpose-built for materials and chemicals discovery, ingesting materials data to accelerate R&D for enterprise customers. Directly comparable to Kebotix in target market (chemicals/materials enterprises), AI-driven materials informatics offering, and SaaS-plus-services revenue model.
• Recursion Pharmaceuticals: AI-driven drug discovery company that combines high-throughput wet-lab experimentation with ML in a closed-loop "labs in a loop" model. Highly comparable to Kebotix's self-driving lab paradigm and predict-produce-prove workflow, applied to life sciences.
• Atomwise: Uses AI for small-molecule design and discovery, partnering with pharma and crop science companies (Bayer among its collaborators). Directly comparable in AI-driven molecular design, pharma/agro customer overlap, and partnership-driven commercial model.
• InSilico Medicine: AI-driven drug discovery platform combining generative chemistry, predictive modeling and automation. Comparable in AI-for-chemistry focus and enterprise pharma partnerships, with overlapping capability in generative molecular design.

Broad incumbents

• Schrödinger: Public computational chemistry platform serving pharma and materials science with physics-based simulation and ML. Overlaps Kebotix in AI-for-materials but is a much broader, more established player spanning drug discovery and materials simulation.
• Dotmatics: Scientific R&D informatics platform used across chemicals, materials and life sciences to manage lab data and workflows. Comparable as an enterprise SaaS platform serving similar chemicals/materials R&D customers, but broader in scope and not AI-native for materials discovery.
• Benchling: Cloud platform for biotech R&D, including lab notebooks, registries and workflow tools. Serves similar enterprise R&D customers in life sciences but is a horizontal lab informatics platform rather than an AI-driven materials discovery stack.
• BIOVIA (Dassault Systèmes): Scientific software suite from Dassault Systèmes covering molecular modeling, materials simulation and lab informatics. Comparable in serving materials/chemicals R&D customers with computational tools, but as part of a much larger, established enterprise software portfolio.
• Aspen Technology: Industrial software platform for process industries including chemicals and energy, with growing asset/AI capabilities. Compares on enterprise customers (bp-style energy and chemical majors) but focuses on plant operations rather than lab-stage materials discovery.

Emerging players

• Iambic Therapeutics: Early-stage AI-driven drug discovery company building generative chemistry models and automated experimentation infrastructure. Comparable in AI-for-chemistry focus and closed-loop experimentation ethos, though focused on therapeutics rather than industrial materials.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat5 records

Key risks6 records

Key highlights7 records

Customer concentration

• Xx.com/kebotixinc
• LinkedInlinkedin.com/company/kebotix

Revenue estimate

Valuation estimate

Number of profiles

Profiles5 records

Subsidiaries1 record

Funding overview

Funding rounds4 records

Investors13 records

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A

Investments

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about Kebotix