A technology-enabled service delivering fast, efficient,
comprehensive in silico toxicology predictions

Predict™ is a leading edge, technology-enabled service that delivers a combination of powerful computation models with expert scientific review, to help clients predict chemical safety more quickly, efficiently and comprehensively.

The Predict™ In Silico Tox service builds on the power of world-leading computational models and databases developed by Leadscope, an Instem company, and combines them with expert scientific review, to deliver comprehensive, unbiased, high quality, regulatory-accepted assessments of chemical safety.

Key Highlights

Domain Expertise The Predict™ service is delivered by expert scientists with vast experience in computational methodologies, toxicology and chemistry, ensuring high quality scientifically robust assessments every time.

Comprehensive Approach All assessments leverage the latest information, including historical databases of toxicity studies, giving you peace of mind that your assessments are always current and up to date.

Finely Tuned Process – Assessments and expert reviews are based on a standard operating procedure, ensuring comprehensive, consistent assessments time after time.

Actionable Information Our comprehensive documentation summarizes the main conclusions, as well as detailed reports on the data used and the prediction model results, enabling you to make clearer, quicker decisions.

Scalable – The Predict™ service is cost-effective and scalable for organizations of all sizes. For organizations without the necessary resource to perform an expert review, Predict™ offers a complete (Q)SAR solution to satisfy regulatory requirements. For organizations with in-house expertise and technology, Predict™ can be used to augment existing capabilities or in times of peak demand.

Faster Turnaround Quality assessments delivered on time, every time. Our experts will ensure we deliver what you need, exactly when you need it, enabling you to make faster, better informed decisions.

Accepted by Regulators – The Predict™ team has a deep understanding of applicable guidelines and regulatory agency processes, giving you complete confidence that your assessments will be accepted by all of the key industry regulators.

Contact us for a Free Consultation

To find out how Predict™ can help your organization assess chemical safety quickly, efficiently and comprehensively, why not take advantage of our free, no obligation consultation? Simply email us at predict@instem.com to book your free consultation with one of our in silico team.

Ask an Expert: Free Resource

Do you have any in silico questions? We encourage you to take advantage of this free industry resource. Simply drop an email to insilicoexpert@instem.com and one of our experts will respond ASAP and without any obligation.

The Predict™ service is delivered by an experienced team, in conjunction with external consultants, who have a deep understanding of applicable guidelines and regulatory agencies’ processes, as well as extensive experience in computational methodologies, toxicology, and chemistry. All assessments and expert reviews are based on a documented standard operating procedure and leverage an infrastructure that ensures the latest information is being used, including historical databases of toxicity studies.

Supporting a Variety of Applications

The Predict™ service supports a variety of applications including the ICH M7 pharmaceutical impurities guideline, SD file generation to include in the Electronic Common Technical Document, assessment of extractables and leachables, and classification and labelling.

  • Mutagenicity (Q)SAR assessment 
  • Establishing Acceptable Limits for N-nitrosamines – NEW!
  • SD File Generation – NEW!
  • Abuse Liability Assessment – NEW!
  • Bioactivation Assessment – NEW!
  • Comprehensive* (Q)SAR assessment 
  • Bespoke** (Q)SAR assessment

*Includes carcinogenicity, mutagenicity, reproductive/developmental toxicity, endocrine activity, acute oral toxicity, skin sensitization, irritation/corrosion, organ toxicity, bioactivation, abuse liability
**Choose any of the following (Q)SAR assessments: carcinogenicity, mutagenicity, reproductive/developmental toxicity, endocrine activity, acute oral toxicity, skin sensitization, irritation/corrosion, organ toxicity, bioactivation, abuse liability

The Predict™ Process

Flexible Options to Suit Your Needs

Clients can select either the Core or Full Predict™ service option to suit their needs. With both options, clients no longer have to spend multiple days searching and analyzing the data they need. Instem rapidly and systematically undertakes searches on multiple sources of data, peforms regulatory-accepted in silico predictions and provides a summary of the results.

Clients selecting our Full Predict™ service will also receive an expert review by a team of experts with deep knowledge of computation modelling, toxicology and chemistry.




Relevant toxicity studies identified

Applicable in silico predictions performed

Full study and in silico reports included

Executive summary of data and predictions

Expert review of data and in silico results


Expert reviewed overall assessments


Webcast: Introducing Predict

Fact Sheet

Webcast: Introducing Predict

Fact Sheet

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Virtual Appointment

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