InsilicAll
InsilicAll is a Brazil/US-based AI SaaS company providing computational toxicology, drug degradation prediction, and regulatory-grade compliance software for pharmaceutical, chemical, cosmetics, agrochemical, food, and supplement R&D teams, combining quantum mechanical calculations with Graph Neural Networks.
- Company typePrivate
- Founded2019
- HeadquartersItaim, Brazil
- Headcount1–10
- GTM typeB2B
- OfferingSoftware
What InsilicAll does
InsilicAll is a private AI-driven computational toxicology and regulatory compliance SaaS provider founded in 2019 and headquartered between Durham, North Carolina and São Paulo, Brazil, with additional offices in Rio de Janeiro and Goiânia. The company builds a portfolio of specialized tools on the InsilicAll AI Platform for pharmaceutical, chemical, cosmetics, agrochemical, food, and supplement R&D, including Ionization Pro for pKa, solubility, lipophilicity, and HPLC retention time prediction; Degrad Plus for degradation pathway and API-excipient compatibility prediction; Detoxie, Purge Safe, NitroSafety, and ImpurityGuard for mutagenicity, impurity risk, and nitrosamine assessment under ICH M7 and related guidelines; Phaarm Matchmaker for generative AI-driven polypharmacology profiling; and Reactor Sim for chemical safety and process simulation. Its core technical differentiator is a hybrid architecture combining GFN2-xTB quantum mechanical calculations with Graph Neural Networks, applied to reactivity, ionization, and physicochemical property prediction, with proprietary data assets including 300,000+ experimental retention time data points and a 115+ entry validated excipient database.
The company monetizes through tiered SaaS subscriptions (Academic at $15/month, Professional, Enterprise, and Custom on multi-year contracts) plus service-based revenue streams including expert toxicology and advisory engagements, joint R&D programs in which clients retain IP, and custom AI solution development with co-innovation and licensing models. Go-to-market combines enterprise field sales via product-specific consultation forms with bottom-up self-service through the Academic tier, supported by a Knowledge Hub of regulatory and scientific content. All products are positioned as regulatory-grade with FDA 21 CFR Part 11, ANVISA RDC 658/2022 and RDC 964/2025, ICH M7, and GAMP 5 compliance, with enterprise-tier immutable PDF reports and QR codes integrating into customer QMS, LIMS, and ELN systems. The company is supported institutionally by Brazilian research funding agencies (CNPq, FAPERJ, FAPESP) and was incubated with BiotechTown, but operates with a reported headcount of 1-10 and discloses no outside equity funding amounts or customer logos.
InsilicAll firmographics
Firmographics- Name
- InsilicAll
- Legal name
- InsilicAll
- Website
- https://insilicall.com
- Company type
- Private
- Founded year
- 2019
- Operating status
- Operating
- Headcount range
- 1–10 employees
- Short description
- InsilicAll is a Brazil/US-based AI SaaS company providing computational toxicology, drug degradation prediction, and regulatory-grade compliance software for pharmaceutical, chemical, cosmetics, agrochemical, food, and supplement R&D teams, combining quantum mechanical calculations with Graph Neural Networks.
- Ownership category
- akta.pro rank
InsilicAll industry classification
Industry- Product category
- Computational Toxicology Software
- NAICS
- Computer Systems Design and Related Services (5415), Instruments and Related Products Manufacturing for Measuring, Displaying, and Controlling Industrial Process Variables (334513)
- SIC
- Laboratory Analytical Instruments (3826)
- akta.pro primary industry
- AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO)
- akta.pro secondary industry
- In Silico / Computational Toxicology & PK/PD Modeling (HLAGAFAM)
Keywords
Where InsilicAll is headquartered
LocationHeadquarters
- HQ city
- Itaim
- HQ country
- Brazil
- HQ region
- Latin America
Offices4 records
Markets served
InsilicAll business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Personnel, Technology or R&D, Marketing or Sales, Operations, Infrastructure
Revenue model
- SaaS Software Licensing: Tiered subscription licensing model for AI-powered toxicology and compliance software tools. Tools can be acquired individually (Ionization Pro, Degrad Plus, Detoxie, Purge Safe, Phaarm Matchmaker) on the InsilicAll AI Platform. Tiers include Academic ($15/month), Professional, Enterprise, and Custom plans.
- Expert Toxicology & Advisory Services: Tailored toxicology and advisory services including non-clinical development, safety and risk assessments (environmental, excipient, impurity evaluations), and derivation of safety exposure limits (PDE, OEL). Services support regulatory compliance and drug development strategy optimization.
- Joint R&D Programs: Collaborative research programs where InsilicAll's multidisciplinary team of PhD-level biologists, chemists, and toxicologists work as an extension of client teams. Clients fund the project and retain full IP ownership.
- Custom AI Solutions Development: Development of custom AI platforms tailored to specific R&D challenges in molecular design, formulation development, predictive modeling, regulatory compliance, or process optimization. Clients own the resulting technology completely.
- AI-Driven Molecule Design & Co-Innovation: Co-creation partnerships for designing novel molecules with targeted properties using generative AI and developing specialized software solutions. Commercial models include co-development agreements, licensing, and revenue-sharing partnerships.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Subscription | Monthly | Academic - $15/month (or $150/year) |
| Subscription | Annual | Academic Annual - $150/year |
| Subscription | Monthly | Professional - Quote-based pricing |
| Subscription | Multi-year contract | Enterprise - Quote-based pricing |
| Subscription | Multi-year contract | Custom - Bespoke pricing |
Go-to-market motion2 records
Distribution channels3 records
Marketing channels3 records
InsilicAll product offering
Product offeringCore offering
InsilicAll develops and licenses a cloud-based SaaS suite of AI-driven computational toxicology and chemistry property prediction tools hosted on the InsilicAll AI Platform. The portfolio includes Ionization Pro (pKa, solubility, retention time, logP/D), Degrad Plus (degradation pathway and API-excipient incompatibility prediction), Detoxie (mutagenicity/carcinogenicity), Purge Safe (ICH M7 purge factor calculations), NitroSafety, ImpurityGuard, Phaarm Matchmaker (generative AI polypharmacology), and Reactor Sim, all built on a hybrid quantum-mechanical/Graph Neural Network architecture and designed for pharmaceutical, chemical, cosmetic, agrochemical, food, and supplement manufacturers operating under FDA, ANVISA, and ICH regulatory frameworks. The company also provides expert toxicology advisory services, joint R&D programs, and custom AI development.
Product overview
InsilicAll offers a platform-plus-modules architecture centered on the InsilicAll AI Platform, a cloud-based SaaS hosting specialized AI-driven solutions for pharmaceutical, chemical, cosmetic, and agrochemical R&D. The portfolio includes Ionization Pro for physicochemical property prediction (pKa, solubility, lipophilicity, retention times), Degrad Plus for predictive stability and degradation pathway analysis, Detoxie for mutagenicity and carcinogenicity assessment, Purge Safe for impurity risk assessment and purge factor calculations, NitroSafety for end-to-end nitrosamine risk management, ImpurityGuard for non-mutagenic impurity qualification, Phaarm Matchmaker for generative AI-driven polypharmacology profiling, and Reactor Sim for reactor simulation. All tools support FDA 21 CFR Part 11 and ANVISA RDC 658/2022 compliance, operate independently or synergistically, and can be licensed individually.
Differentiator
Problem solved
Functional benefit
Brands
- InsilicAll AI Platform: Cloud-based AI platform hosting all InsilicAll SaaS solutions with regulatory compliance features including FDA 21 CFR Part 11 and ANVISA RDC 658/2022.
- Ionization Pro
- Degrad Plus
- Detoxie
- Purge Safe
- Phaarm Matchmaker
- Reactor Sim
- Impurity Guard
- NitroSafety
Products and services
- InsilicAll AI Platform Cloud-based SaaS platform hosting InsilicAll's specialized AI-driven solutions for pharmaceutical, chemical, cosmetic, and agrochemical R&D. Provides regulatory compliance infrastructure including immutable PDF reports, audit trails, FDA 21 CFR Part 11, and ANVISA RDC 658/2022 compliance.
- Ionization Pro AI-driven software predicting pKa, ionization states, HPLC retention times, logP/logD, and solubility properties for pharmaceutical, cosmetic, agrochemical, and chemical manufacturing applications. Powered by hybrid quantum mechanical (GFN2-xTB) and Graph Neural Network models, and validated against 300,000+ experimental data points.
- Degrad Plus Predictive stability and formulation design tool enabling rapid elucidation of drug degradation pathways and API-excipient incompatibilities. Combines hybrid quantum-AI reactivity calculations with a 115+ validated excipient knowledge base and five-level formation risk scoring, supporting FDA 21 CFR Part 11 and ANVISA RDC 964/2025 compliance.
- Detoxie AI-driven mutagenicity and carcinogenicity assessment software boosted with Read-Across (RAx) and expert review, ensuring ICH M7 and 21 CFR Part 11 compliance for pharmaceutical, cosmetic, supplement, and food industries.
- Purge Safe Standardized AI-driven software for impurity risk assessment and ICH M7 purge factor calculations for API synthesis, serving pharmaceutical, cosmetic, supplement, and food industries.
- NitroSafety End-to-end nitrosamine risk management software for pharmaceutical, cosmetic, supplement, and food industries, providing AI-powered read-across, carcinogenicity data analysis, and AI-drafted qualification dossiers for regulatory agencies.
- ImpurityGuard In silico qualification tool for non-mutagenic impurities via metabolite identification, API-like comparison, multi-organ toxicophore screening, and quantitative read-across.
- Phaarm Matchmaker Generative AI software using polypharmacology to map molecular and biological signatures into multi-target profiles, bridging chemistry and biology for drug discovery applications.
- Reactor Sim Software solution for AI-driven chemical safety and innovation applications in reactor and process simulation.
- Expert Toxicology & Advisory Services Tailored expert toxicology and advisory services including non-clinical development, environmental/excipient/impurity safety assessments, and derivation of safety exposure limits (PDE, OEL/OEB). Services include degradation expert assessment, qualification of non-mutagenic impurities, nitrosamine risk assessment, drug-excipient compatibility, residual solvents, elemental impurities, extractables and leachables risk assessment, and read-across data gap filling.
- Joint R&D Programs Collaborative research programs where InsilicAll's multidisciplinary team of PhD-level biologists, chemists, and toxicologists work as an extension of client teams on drug development, formulation, or toxicology challenges. Clients fund the project and retain full IP ownership of the resulting work.
- Custom AI Solutions Development Development of custom AI platforms tailored to specific client R&D challenges in molecular design, formulation development, predictive modeling, regulatory compliance, or process optimization. Clients own the resulting technology completely.
- AI-Driven Molecule Design & Co-Innovation Co-creation partnerships for designing novel molecules with targeted properties using generative AI and developing specialized software solutions. Commercial models include co-development agreements, licensing, and revenue-sharing partnerships.
Quantifiable outcome
- Up to 60% reduction in development time
- +1 more outcomes
Companies that use InsilicAll
Customer profileSegments8 records
Ideal customer profiles5 records
InsilicAll technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- Yes
- API docs
- API detail
Core technology
AI maturity
App detail
Integration3 records
AI capability5 records
Feature12 records
InsilicAll partnerships and signals
Strategic signalScale indicators3 records
Recent moves6 records
Expansion highlights6 records
InsilicAll competitors and assessment
Company assessmentDirect peers
- Schrödinger: Operates a physics-based computational chemistry and drug discovery platform with ML-augmented property prediction (including pKa and ADME) and serves pharma R&D globally. Direct competitor for InsilicAll's AI/ML physicochemical property and generative molecule design offerings.
- Simulations Plus: Specializes in in silico ADMET prediction, PBPK modeling, and quantitative systems toxicology used in regulatory submissions. Closely aligned with InsilicAll's computational toxicology and regulatory-submission positioning.
- Lhasa Limited: Provides ICH M7-aligned in silico mutagenicity and impurity expert systems (e.g., Derek Nexus, Sarah Nexus), purpose-built for pharmaceutical regulatory workflows. Direct comparable for Detoxie and Purge Safe.
- MultiCASE / MN-AM: Long-standing vendor of in silico toxicity and metabolism prediction tools (CASE/Ultra), with strong overlap to InsilicAll's mutagenicity, carcinogenicity, and read-across capabilities in regulated chemistry.
- Instem: Sends regulatory toxicology software (including the former Leadscope QSAR products) into pharma R&D and safety assessment workflows. Comparable buyer base and regulatory-submission value proposition.
- ACD/Labs: Delivers analytical chemistry and prediction software (pKa, logP, chromatographic retention) widely used in pharma and academic chemistry. Most directly comparable to InsilicAll's Ionization Pro roadmap.
- OpenEye Cadence: Provides cheminformatics and molecular modeling software used in drug discovery and computational chemistry. Overlaps with InsilicAll's generative AI and property prediction offerings, especially for medicinal chemistry teams.
Broad incumbents
- Certara: Offers a broader drug development software suite spanning PBPK, regulatory, and biosimulation tools serving global pharma. Overlaps with InsilicAll on regulatory-grade toxicology and ADME prediction but serves a much wider portfolio.
- Dassault Systèmes BIOVIA: Provides comprehensive scientific informatics including cheminformatics, ADMET, and lab software for pharma and chemicals. InsilicAll sits in a focused slice of BIOVIA's broader R&D informatics scope.
- DOTMATICS: Provides R&D scientific informatics and ELN platforms for pharma/biotech. Adjacent infrastructure layer that could bundle or compete with InsilicAll's regulated reporting and LIMS/ELN integration story.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat5 records
Key risks6 records
Key highlights6 records
Customer concentration
InsilicAll social profiles
Digital presenceInsilicAll compliance and trust
Trust signalCompliance3 records
InsilicAll financial estimates
Financial estimateRevenue estimate
Valuation estimate
InsilicAll leadership team
Management profileNumber of profiles
InsilicAll funding detail
Funding detailFunding overview
Funding rounds1 record
Investors1 record
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
InsilicAll M&A and investment
M&A and investmentM&A
Investments
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about InsilicAll
What does InsilicAll do?
InsilicAll develops and licenses a cloud-based SaaS suite of AI-driven computational toxicology and chemistry property prediction tools hosted on the InsilicAll AI Platform. The portfolio includes Ionization Pro (pKa, solubility, retention time, logP/D), Degrad Plus (degradation pathway and API-excipient incompatibility prediction), Detoxie (mutagenicity/carcinogenicity), Purge Safe (ICH M7 purge factor calculations), NitroSafety, ImpurityGuard, Phaarm Matchmaker (generative AI polypharmacology), and Reactor Sim, all built on a hybrid quantum-mechanical/Graph Neural Network architecture and designed for pharmaceutical, chemical, cosmetic, agrochemical, food, and supplement manufacturers operating under FDA, ANVISA, and ICH regulatory frameworks. The company also provides expert toxicology advisory services, joint R&D programs, and custom AI development.
Is InsilicAll a public or private company?
InsilicAll is a private company. It is classified as unknown and is currently operating.
When was InsilicAll founded?
InsilicAll was founded in 2019. It employs 1 to 10 people.
Where is InsilicAll based?
InsilicAll is headquartered in Itaim, Brazil, in the Latin America region.
How does InsilicAll make money?
Five revenue lines are on record. SaaS Software Licensing is the primary driver. The others are expert Toxicology & Advisory Services, joint R&D Programs, custom AI Solutions Development and AI-Driven Molecule Design & Co-Innovation.
Who are InsilicAll's main competitors?
Direct peers on record are Schrödinger, Simulations Plus, Lhasa Limited, MultiCASE / MN-AM, Instem, ACD/Labs and OpenEye Cadence. Broad incumbents are Certara, Dassault Systèmes BIOVIA and DOTMATICS.
Does InsilicAll have an API?
Yes. Enterprise licenses include optional API access for programmatic integration with existing workflows. The platform generates immutable PDF reports with embedded QR codes that integrate directly with quality management systems (QMS), laboratory information management systems (LIMS), and electronic lab notebooks (ELNs). API access is available only for Enterprise tier licenses; Professional and Academic tiers do not include API access. Developer documentation is at insilicall.com/contact-form-ip-enterprise-sales.
What industry is InsilicAll in?
InsilicAll's product category is Computational Toxicology Software. Its primary akta.pro industry code is HLAGAJAO, AI/ML Platforms for Drug Discovery & Experiment Optimization, with a secondary code of HLAGAFAM, In Silico / Computational Toxicology & PK/PD Modeling. Its NAICS code is 5415 and its SIC code is 3826.