AI for Chemical Safety

AI-driven toxicology and compliance solutions supporting your products from discovery through post-market success

& Innovation

InsilicAll partners with pharmaceutical, chemical, cosmetics, and agro teams who are ready to work smarter and move faster.

We build AI-powered solutions that tackle R&D challenges - from innovation and toxicology assessment to regulatory compliance - turning complex data into clear, actionable insights that keep you competitive throughout your product lifecycle.

Our team doesn't just understand algorithms - we understand your world!

With deep expertise spanning computational toxicology, medicinal chemistry, cosmetic safety, and agrochemical risk evaluation, we create tools that fit seamlessly into your existing processes. Disruptive technology. Intuitive workflows. Transformative results.

From next-generation innovation to critical toxicology decisions, InsilicAll gives you the AI-powered expertise to solve them with confidence - because you don't have time for anything less!

Scientific expertise driving business results

Explore our Services

At InsilicAll, we provide expert, tailored toxicology and advisory services to support the full lifecycle of your products.

Our dedicated team specializes in comprehensive non-clinical development, rigorous safety and risk assessments (including environmental, excipient, and impurity evaluations), and the precise derivation of safety exposure limits like PDE and OEL.

We are committed to ensuring your compliance with global regulations, optimizing your drug development strategies, and accelerating your product's journey to market with safety and efficacy at the forefront. Partner with us for cost-effective, science-driven solutions tailored to your unique needs.

Pharma Risk Assessment Services

Degradation Expert Assessment & Report
Qualification of Non-Mutagenic Impurities (NMIs)
Nitrosamine Risk Assessment
Potentially Mutagenic Impurities (PMIs)
Drug-excipient compatibility
Residual solvents
Elemental Impurities
Extractables & Leachables risk assessment
Qualification of Excipients
In silico assessment

Health-Based Exposure Limits (HBELs) Services

Permissible Daily Exposure (PDE)
Occupational Exposure Limits (OEL/OEB)
Filling Data Gaps with Read-Across

Schedule expert risk review

Discover our Solutions

Software solution providing end-to-end nitrosamine risk management for the Pharmaceutical, Cosmetic, Supplement, and Food industries

Software solution providing AI-driven mutagenicity and carcinogenicity assessment, boosted with RAx & expert review, ensuring ICH M7 & 21 CFR Part 11

Predictive stability and formulation design, enabling rapid elucidation of drug degradation pathways and API-excipient incompatibilities to de-risk development

Software solution providing a standardized, AI-driven approach for impurity risk assessment and ICH M7 purge factor calculations for API synthesis

Generative AI software using polypharmacology to map molecular and biological signatures into multi-target profiles bridging chemistry and biology

Software solution providing AI-driven pKa and Ionization states, HPLC retention times, logP/D, solubility property prediction, boosted with hybrid Quantum Mechanical & AI models

Learn more

Each tool is expertly designed to address critical challenges in regulatory compliance, risk management, and R&D acceleration across the pharmaceutical, cosmetic, supplement, and food industries.

These software tools operate independently or synergistically, meeting FDA 21 CFR Part 11 and ANVISA's RDC 658/2021 requirements. Licenses can be acquired individually to precisely match your team's workflow and budget.

Explore our suite of specialized, AI-driven SaaS solutions, all hosted on the Insilicall AI Platform.

Explore the solutions available within the platform:

Discover our Solutions

Software solution providing end-to-end nitrosamine risk management for the Pharmaceutical, Cosmetic, Supplement, and Food industries

Software solution providing AI-driven mutagenicity and carcinogenicity assessment, boosted with RAx & expert review, ensuring ICH M7 & 21 CFR Part 11

Predictive stability and formulation design, enabling rapid elucidation of drug degradation pathways and API-excipient incompatibilities to de-risk development

Software solution providing a standardized, AI-driven approach for impurity risk assessment and ICH M7 purge factor calculations for API synthesis

Generative AI software using polypharmacology to map molecular and biological signatures into multi-target profiles bridging chemistry and biology

Software solution providing AI-driven pKa and Ionization states, HPLC retention times, logP/D, solubility property prediction, boosted with hybrid Quantum Mechanical & AI models

Learn more

Each tool is expertly designed to address critical challenges in regulatory compliance, risk management, and R&D acceleration across the pharmaceutical, cosmetic, supplement, and food industries.

Explore our suite of specialized, AI-driven SaaS solutions, all hosted on the Insilicall AI Platform.

Explore the solutions available within the platform:

Partnership Models

Beyond our software solutions, InsilicAll offers flexible partnership models designed to match your innovation goals and R&D needs.

Joint R&D Programs

Partner with our multidisciplinary team of PhD-level biologists, chemists, and toxicologists to solve your complex R&D challenges.

We work as an extension of your team on research projects - from developing novel molecules with specific properties using generative AI to creating advanced formulations for pharmaceutical, chemical, cosmetics, and agro applications.

You fund the project, and you retain full ownership of all intellectual property generated.

Start your Project

Custom AI Solutions

Need AI tools built specifically for your R&D challenges?

We develop custom platforms that integrate seamlessly into your workflows - whether you're working on molecular design, formulation development, predictive modeling, regulatory compliance, or process optimization across pharmaceutical, chemical, cosmetics, and agro applications.

You get the technology you need, and you own it completely.

Discuss your Needs

AI-Driven Molecule Design & Co-Innovation

Partner with our multidisciplinary team of PhD-level biologists, chemists, and toxicologists to co-create breakthrough innovations.

We collaborate on two fronts: designing novel molecules with targeted properties using generative AI, and developing specialized software solutions tailored to your workflows.

Through flexible commercial models, including co-development agreements, licensing, or revenue-sharing partnerships, we transform AI-powered insights into market-ready innovations that accelerate your competitive advantage.

Explore co-Innovation