The Journey of a Molecule – Discovery

Discover how Instem’s Advance™, Predict™, and BioRails® accelerate early-stage drug discovery by unifying in silico insights, experimental data, and streamlined workflows.

Discovery

Given that a single high-throughput screening campaign may evaluate over 2 million compounds, discovery teams must move through terabytes of data before deciding to prioritize only a handful of compounds after target identification. When data and rationale are sequestered in manual processes across different formats, pinpointing initial compounds or “hits” becomes slower and less reproducible. Instem’s AdvancePredict, and BioRails® support the discovery of “hits” using computational and experimental approaches, helping teams reduce costly timelines, streamline risk assessment, and make decisions sooner and with more confidence.

Advance For Weight of Evidence Assessments

Advance is a comprehensive service for Weight of Evidence (WoE) assessments aligned with the ICH S1B WoE Addendum. The service consists of evaluations of public and associated toxicology program data. It is broken down into the guidance-related  six modules to produce a comprehensive assessment of whether a 2 year rat carcinogenicity study would add value to the evidence within a regulatory submission.  These modules are: target biology, secondary pharmacology, histopathology, hormonal perturbation, genetic toxicology and immune modulation. Instem can supplement internal expertise by providing assessments for a selection (or all) of the modules. 

By streamlining these early-stage evaluations, Advance helps to minimize the need for animal testing by potentially eliminating the need to conduct multi-year carcinogenicity studies, potentially saving researchers up to $4 million and reducing time to market by 3 to 5 years. 

Predict: Expert QSAR and Read-across In Silico Toxicology 

When assessing potential toxicology indicators of compounds, manual literature reviews are not only time-consuming but also increase the chance of critical data becoming overlooked1Predict negates these inefficiencies by providing in silico toxicology assessments, using scientifically-driven predictive models drawing from a database of over 600,000 studies, covering over 200,000 chemicals. Predictions made by the models can be thoroughly reviewed by Instem’s experts to ensure scientific accuracy and robustness depending the level of support needed 

Models available in the Predict service include those compliant with ICH M7 and Q3E standards, among others, and can identify toxicological issues early in development. Together, these features accelerate the discovery process and ensure decisions are backed by a body of comprehensive scientific evidence.

Simplifying ADME/DMPK Workflows with BioRails®

BioRails is an end-to-end solution that streamlines experimental workflows, particularly ADME and DMPK research. The platform has essential tools for in vitro research, including assay design, data analysis, data management, and inventory management.

Because data are centralized into one secure and accessible repository, data can be organized, managed, and analyzed with flexibility and ease. Protocols can be standardized easily across teams, compared to traditional notebooks or electronic lab notebooks (ELN). This simplified management enables faster decision-making, streamlines the discovery of hits, and enhances collaboration. 

Instem’s solutions help reduce the burden of manual review, accelerate key decisions, and ensure that scientific rigor remains at the forefront. By simplifying complex workflows and unifying both experimental and in silico insights, discovery teams can transition more efficiently into lead optimization. Our next post explores how Instem supports this critical, iterative stage of drug development.

1.     Hoffmann S, de Vries RBM, Stephens ML, et al. A primer on systematic reviews in toxicology. Arch Toxicol. 2017;91(7):2551-2575. doi:10.1007/s00204-017-1980-3 

Instem Team

Instem is a leading supplier of SaaS platforms across Discovery, Study Management, Regulatory Submission and Clinical Trial Analytics. Instem applications are in use by customers worldwide, meeting the rapidly expanding needs of life science and healthcare organizations for data-driven decision making leading to safer, more effective products.

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