Chemical Computing Group
- Company typePrivate
- Founded1994
- HeadquartersMontreal, Canada
- Headcount11–50
- GTM typeB2B
- OfferingSoftware
Chemical Computing Group firmographics
Firmographics- Name
- Chemical Computing Group
- Legal name
- Chemical Computing Group ULC
- Website
- https://chemcomp.com
- Company type
- Private
- Founded year
- 1994
- Operating status
- Operating
- Headcount range
- 11–50 employees
- Ownership category
- akta.pro rank
Chemical Computing Group industry classification
Industry- Product category
- Computational Chemistry Software
- NAICS
- Software Publishers (5132), Research and Development in Biotechnology (except Nanobiotechnology) (541714)
- SIC
- Services-Commercial Physical & Biological Research (8731)
- akta.pro primary industry
- Cheminformatics & Molecular Modeling / CADD (HLAGAJAE)
- akta.pro secondary industries
- AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO), Antibody Discovery & Engineering Platforms (display tech, bispecifics, Fc engineering) (HLAAAIAB)
Keywords
Where Chemical Computing Group is headquartered
LocationHeadquarters
- HQ city
- Montreal
- HQ country
- Canada
- HQ region
- North America
Offices5 records
Markets served
Chemical Computing Group business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Personnel, Technology or R&D, Operations, Marketing or Sales, Infrastructure
Revenue model
- Software Licenses and Subscriptions: CCG sells and licenses its MOE software platform to pharmaceutical, biotech, and academic institutions. The platform supports perpetual and term licensing models. The company also offers subscription-based access to cloud-hosted solutions such as PSILO and 3dpredict.
- Professional Services and Training: Onsite training, remote training, workshops, webinars, and scientific project collaborations. CCG offers a range of educational events including UGM conferences, workshops, and online events, some free and some included with licensing.
- SaaS / Cloud Services: Cloud-hosted PSILO platform (ISO 27001 compliant) and 3dpredict SaaS for antibody developability screening. Delivered as web-based applications with API access.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Subscription | Annual | Commercial License |
| Subscription | Annual | Academic/Government License |
| Usage-based | Pay-as-you-go | SaaS / Cloud Access |
Go-to-market motion1 record
Distribution channels4 records
Marketing channels9 records
Chemical Computing Group product offering
Product offeringCore offering
Chemical Computing Group develops and licenses the Molecular Operating Environment (MOE), an integrated computer-aided molecular design platform for small molecules, peptides, and biologics that combines visualization, modeling, simulations, and machine learning with a built-in SVL programming environment. The portfolio also includes MOEsaic (web-based SAR Explorer), PSILO (protein structure database system), and Discngine-acquired SaaS applications including 3dpredict for antibody developability, SAR analytics, assay data management, and scientific software integration.
Product overview
Chemical Computing Group offers a unified drug discovery platform centered on MOE (Molecular Operating Environment), an integrated molecular design platform for small molecules, peptides, and biologics that combines visualization, modeling, and simulations. The portfolio includes MOEsaic for web-based SAR exploration and PSILO for protein structure database management. Through the 2023 acquisition of Discngine, CCG expanded its offerings with SaaS applications for antibody developability prediction (3Dpredict), SAR analytics, assay data management, and scientific software integration tools connecting to LiveDesign, PipelinePilot, and Spotfire.
Differentiator
Problem solved
Functional benefit
Brands
- MOE (Molecular Operating Environment): Integrated computer-aided molecular design platform for small molecules, peptides, and biologics drug discovery.
- MOEsaic - SAR Explorer
- PSILO
Products and services
- MOE (Molecular Operating Environment) Integrated computer-aided molecular design platform supporting small molecules, peptides, and biologics drug discovery. Combines visualization, modeling, simulations, and machine learning in a single package with built-in SVL programming environment. Used by pharmaceutical, biotech, and academic researchers for structure-based drug design, ligand- and fragment-based design, and biologics engineering.
- MOEsaic - SAR Explorer Web-based application for analyzing structure-activity relationship (SAR) data, visualizing trends, performing matched molecular pair analysis, R-group profiling, substructure and similarity searches, and exploring new virtual leads. Used by medicinal chemistry teams to support SAR/SPR visualization and ligand analytics.
- PSILO - Protein Structure Database Protein structure database and visualization system for macromolecular and protein-ligand data management. Features RCSB-compliant structure deposition, 3D query searching, pocket similarity, protein structure alignment, and federated database architecture supporting AlphaFold integration.
- Discngine 3Dpredict Cloud-based SaaS solution for ensemble-based antibody developability predictions, computing property descriptors and putative liabilities including aggregation and viscosity screening for hundreds or thousands of monoclonal antibody sequences. Used by pharmaceutical and biotech antibody engineering teams.
- Discngine SAR Analytics Automated SAR report generation and analysis platform featuring matched molecular pairs, R-group deconvolution, and molecule suggestions for lead optimization in medicinal chemistry campaigns.
- Discngine Assay Data Management Scientific data management system for sample registration, inventory, tracking, robotic pipette qualification, low to high throughput assay data acquisition, and QA/QC analysis for life science R&D laboratories.
- Discngine Scientific Software Integration Integration platform connecting research applications including Biovia LiveDesign, PipelinePilot, and Spotfire with centralized data access, visualization, and workflow automation for scientific research teams.
Quantifiable outcome
- 32+ years of continuous software innovation and development
- +1 more outcomes
Companies that use Chemical Computing Group
Customer profileNamed customers2 records
Segments2 records
Ideal customer profiles2 records
Chemical Computing Group technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- No
- API docs
- API detail
Core technology
AI maturity
App detail
Integration5 records
AI capability6 records
Feature7 records
Chemical Computing Group partnerships and signals
Strategic signalPartnerships
Two partnerships are on record, tiered core.
- DiscnginecoreChemical Computing Group acquired Discngine in a private transaction in 2023, buying out stakes from Extens, Altman Partners, employees, and founders including CEO Eric Le Roux. Discngine, founded in 2004 and based in Paris, France, provides SaaS scientific software for life science research, including 3dpredict (antibody developability), 3Decision (SAR analysis), assay data management, and scientific software integration services. It holds ISO 27001 certification for information security management.
- MOLSIS Inc.coreMOLSIS Inc. is the exclusive partner of CCG serving Japan and the Far East region, providing local sales, scientific support, and customer engagement for CCG products. MOLSIS was created in December 2016 to take over scientific software activities previously conducted by Ryoka Systems Inc., a trusted provider of computational chemistry and life science informatics tools for nearly 30 years.
Scale indicators4 records
Recent moves6 records
Expansion highlights6 records
Chemical Computing Group competitors and assessment
Company assessmentDirect peers
- Simulations Plus: Simulations Plus provides modeling and simulation software (GastroPlus, MonolixSuite, DILIsym) used by pharma for PBPK, QSP, and quantitative drug development. Announced in 2026 to combine with CCG under Altaris, the two companies operate complementary platforms serving overlapping pharma R&D customers.
- Schrödinger: Schrödinger is the most direct competitor to CCG, offering a suite of computational chemistry and molecular simulation software (LiveDesign, Glide, FEP+) used by pharma and biotech for structure-based drug design and lead optimization. Both companies sell integrated platforms combining physics-based modeling with ML to pharmaceutical R&D customers.
- OpenEye Scientific (Cadence Design Systems): OpenEye develops molecular modeling and cheminformatics software (OEDocking, OEChem, Orion) widely used in pharma for small-molecule design and virtual screening. It is a direct competitor in CADD, with comparable target customers and an overlapping product portfolio in molecular simulations and SAR analysis.
Broad incumbents
- Certara: Certara provides modeling, simulation, and regulatory science software (Phoenix WinNonlin, Simcyp) serving pharma R&D and regulatory submissions. It overlaps with CCG in model-informed drug development and shares the same enterprise pharma customer base, though it emphasizes PBPK/QSP rather than structural design.
- BIOVIA (Dassault Systèmes): BIOVIA offers a broad portfolio of scientific software for molecular modeling, biologics, lab informatics, and materials science within Dassault Systèmes' 3DEXPERIENCE platform. It competes broadly with CCG across pharma R&D but as part of a much larger suite rather than specializing in CADD alone.
- Dotmatics: Dotmatics (an Insight Partners-backed platform) provides scientific informatics software for chemistry, biology, and data management workflows used by pharma R&D. It competes with Discngine/CCG's integration and data management offerings rather than core CADD, serving the same enterprise pharma buyers.
Emerging players
- Insilico Medicine: Insilico Medicine is an AI-first drug discovery company using generative models and deep learning across target identification, chemistry, and clinical prediction. It represents an emerging AI-native competitor to traditional CADD platforms like MOE in the pharma discovery tooling market.
- Molecular Discovery Ltd. Molecular Discovery offers software tools (VolSurf+, Pentacle, MoKa) for ADME property prediction, 3D-QSAR, and molecular interaction fields used in early-stage drug discovery. It is a niche peer overlapping CCG's cheminformatics and QSAR/QSPR modeling capabilities for pharma R&D.
- Atomwise: Atomwise applies AI-based structure-activity relationship models (AtomNet) to small-molecule discovery, partnering with pharma to identify hits and leads. It overlaps CCG's predictive chemistry and virtual screening use cases, representing an emerging ML-first alternative to physics-based CADD.
- Cresset: Cresset develops computational chemistry tools including ligand-based design (Flare), field-based methods, and contract research services for medicinal chemistry. It is a smaller specialist peer serving medicinal chemists in pharma and agrochemical companies with overlapping use cases to MOE.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat6 records
Key risks6 records
Key highlights7 records
Customer concentration
Chemical Computing Group social profiles
Digital presenceChemical Computing Group compliance and trust
Trust signalCompliance1 record
Chemical Computing Group financial estimates
Financial estimateRevenue estimate
Valuation estimate
Chemical Computing Group leadership team
Management profileNumber of profiles
Profiles2 records
Chemical Computing Group subsidiaries and ownership
Company hierarchySubsidiaries1 record
Chemical Computing Group funding detail
Funding detailFunding overview
Funding rounds
Investors
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
Chemical Computing Group M&A and investment
M&A and investmentM&A1 record
Investments
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about Chemical Computing Group
What does Chemical Computing Group do?
Chemical Computing Group develops and licenses the Molecular Operating Environment (MOE), an integrated computer-aided molecular design platform for small molecules, peptides, and biologics that combines visualization, modeling, simulations, and machine learning with a built-in SVL programming environment. The portfolio also includes MOEsaic (web-based SAR Explorer), PSILO (protein structure database system), and Discngine-acquired SaaS applications including 3dpredict for antibody developability, SAR analytics, assay data management, and scientific software integration.
Is Chemical Computing Group a public or private company?
Chemical Computing Group is a private company. It is classified as private equity controlled and is currently operating.
When was Chemical Computing Group founded?
Chemical Computing Group was founded in 1994. It employs 11 to 50 people.
Where is Chemical Computing Group based?
Chemical Computing Group is headquartered in Montreal, Canada, in the North America region.
How does Chemical Computing Group make money?
Three revenue lines are on record. Software Licenses and Subscriptions are the primary driver. The others are professional Services and Training and saaS / Cloud Services.
Who are Chemical Computing Group's main competitors?
Direct peers on record are Simulations Plus, Schrödinger and OpenEye Scientific (Cadence Design Systems). Broad incumbents are Certara, BIOVIA (Dassault Systèmes) and Dotmatics. Emerging players are Insilico Medicine, Molecular Discovery Ltd., Atomwise and Cresset.
Does Chemical Computing Group have an API?
No public API is recorded for Chemical Computing Group.
What industry is Chemical Computing Group in?
Chemical Computing Group's product category is Computational Chemistry Software. Its primary akta.pro industry code is HLAGAJAE, Cheminformatics & Molecular Modeling / CADD, with a secondary code of HLAGAJAO, AI/ML Platforms for Drug Discovery & Experiment Optimization. Its NAICS code is 5132 and its SIC code is 8731.