BIOiSIM

BIOiSIM is a drug development platform developed by VeriSIM Life, described as a virtual drug development engine. It is designed for biotech and pharmaceutical organizations seeking to identify and advance the most promising drug candidates while reducing time, cost, and experimental waste across the drug discovery and development process. The platform is offered both as a technology-enabled service and through deep co-development partnerships.

At the core of BIOiSIM is the Translational Index®, a multi-metric scoring system that synthesizes a compound's likely therapeutic effect — including safety and efficacy — to inform preclinical research and development decisions. The platform combines machine learning, deep learning, large language models, and deterministic mechanistic bio- and physiological models in a hybrid AI approach, applied across a proprietary data lake covering more than 3 million compounds, over 5,000 unique animal and human validation datasets, and physiological parameters for more than 196 subject populations.

Core Platform Capabilities

• Translational Index®: Provides a compound-level score synthesizing safety and efficacy metrics to guide go/no-go decisions in preclinical R&D, analogous to a credit score for evaluating drug candidates.
• Hybrid mechanistic and AI engine: Integrates machine learning and deep learning with deterministic mechanistic models to produce predictions that go beyond empirical science alone.
• Minimalistic generalization: Generates predictions without requiring large empirical datasets, supporting translation across species, routes of administration, and therapeutic areas while reducing overfitting.
• Continuous benchmarking and learning: Undergoes frequent algorithm checks, ongoing training, and validation simulations to maintain and improve predictive accuracy over time.
• Cloud-based scalability: Operates on a cloud-based computational system supporting up to 800 billion total potential simulation scenarios, with predictions generated in seconds.
• Cross-disciplinary data backbone: Maintains a growing proprietary data lake augmented with synthetic data, covering diverse animal and human species and validated with both FDA and proprietary compounds.

AtlasGEN™ Novel Drug Designer

• Identifies new molecules based on favorable chemical properties and simultaneously evaluates them for clinical safety and effectiveness using the Translational Index® technology.
• Searches across a chemical space of more than 1 trillion compounds using generative AI and deep learning techniques.
• Predicts protein-ligand binding affinity by combining geometric conformer analysis with machine learning, reported to be 72% more efficient than molecular docking-based approaches.
• Ranks target-engaging hits by their Translational Index values, pre-validating hits for translatability and compressing the hit-to-lead refinement process.
• Reduces the number of compounds requiring subsequent experimental evaluation by filtering out low-translatability candidates early.

Key Benefits and Reported Outcomes

• Reduces average time to investigational new drug (IND) application status by approximately 2.5 years compared to conventional approaches.
• Represents approximately $3 million in cost savings by reducing unnecessary in vivo experimentation.
• Supports use before preclinical animal trial start, enabling earlier insights and reducing expenditure on outsourced experimentation.
• Models are built on data from thousands of compounds across seven species, supporting robustness and scalability.
• Supports multiple routes of administration including intravenous (IV), oral, and transdermal.
• Custom models and validations can be developed within weeks due to the platform's flexible architecture.
• Claims more than 1.5 million real validation simulations completed and a search space exceeding 1 trillion novel drug discovery candidates.

Offerings and Engagement Models

• Platform-enabled services: VeriSIM Life professionals engage with client organizations to address specific translational challenges using BIOiSIM and the Translational Index®, targeting more successful clinical trial outcomes.
• Translational Index Scorecard: Using compound structure data only, BIOiSIM predicts multiple aspects of translatability across animal species and for humans.
• Collaborative asset development: VeriSIM Life partners with organizations to co-develop new drugs, de-risking candidate selection and shortening development timelines.
• New drug partnerships: Targeted at identifying novel candidates for difficult targets, merging biological relevance with target engagement chemistry.

Platform Ecosystem and Domain Coverage

• Drug repurposing
• Formulation analysis
• Drug-drug interactions
• Safety and toxicity profiling
• Efficacy predictions
• AI-assisted drug discovery
• Patient stratification

BIOiSIM is delivered as a cloud-based software service with continuous development and model updates. The platform has been applied in collaborations with organizations including Debiopharm, with use cases focused on oncology and other therapeutic areas. VeriSIM Life is headquartered in the United States and can be contacted directly for demos, partnership discussions, or service engagements.