Services | Imagine Biotech

Biotech Risk Mitigation Services

Approximately 70% of small molecule drugs fail to progress from phase 2 to phase 3 studies.

Mitigating Risk Across Biotech Investment Portfolios

At Imagine Biotech, we help early to mid stage biotech teams avoid one of the industry's most costly pitfalls, burning capital on lab and animal studies without fully understanding their molecules. Too often, traditional development relies on trial and error experiments that are expensive, time consuming, and ultimately fail due to issues like poor solubility, off target toxicity, or weak drug enzyme interactions. We offer a smarter path forward.

Our platform combines advanced computational modeling, molecular simulations, and quantum chemistry to provide a deep, predictive understanding of how compounds behave, at the earliest stages when clarity is most critical. This insight empowers more informed decisions, supports high value IP creation, and gives investors greater confidence by reducing technical risk.

Backed by a world class team of PhDs, Imagine Biotech delivers integrated, science driven reports that accelerate development and protect capital. We are building the future of drug discovery, one where you know your molecule before making expensive bets.

Quantum Solvation Modeling: Predicting Real-World Drug Behavior Before the Lab

We offer Implicit Solvent Sample-Based Quantum Diagonalization (SQD-IEF-PCM) as a cutting-edge service to model drug molecules in realistic biological environments. This method integrates quantum simulations with solvent effects—using the Integral Equation Formalism Polarizable Continuum Model (IEF-PCM)—to precisely calculate ground-state energies and solvation behavior.

For example, in simulating sotorasib, a KRAS(G12C) inhibitor, this approach helps predict how the molecule behaves in aqueous conditions, including its stability and binding potential. Simply put, we use quantum computing to place your molecule into a virtual solution—like water—to see how it performs in the body, reducing guesswork and costly downstream failures.

Over 90% of drug candidates fail in clinical trials, with poor solubility and unpredictable bioavailability accounting for nearly 40% of these failures.
—Source: Amidon et al., Journal of Pharmaceutical Sciences; FDA Drug Approval Report

With over 190,000 peptides, the T-Surf Library enables the most comprehensive peptide-based interrogation of TLR signaling ever conducted.

T-Surf Library Screening Platform | High-throughput discovery of TLR-modulating peptides

Imagine Biotech offers access to the T-Surf Library, a technology platform comprising over 190,000 peptides derived from the surface regions of TIR domains across diverse species. This resource enables systematic identification of peptide modulators that target Toll-like receptor (TLR) signalling, a key pathway in inflammation and immune regulation.

Aberrant TLR signalling plays a central role in the progression of autoimmune, infectious, and neuroinflammatory diseases. By targeting intracellular TIR domain interactions — the signalling hubs of TLR pathways — peptide-based inhibitors offer a promising therapeutic strategy for restoring immune homeostasis.

How It Works

Peptides are designed from structurally conserved surface regions of TIR domains
High-throughput phage display identifies TIR-binding peptides with immunomodulatory potential
Top hits are validated for TLR pathway inhibition in macrophage assays and preclinical disease models

Key Advantages

Access to the largest curated library of TIR-derived peptides
Rapid identification of lead peptide inhibitors targeting MyD88, MAL, and other TLR adapters
Applicable to a broad range of inflammation-driven conditions, including sepsis, multiple sclerosis, and age-related diseases
Designed for partnered discovery, preclinical validation, or licensing opportunities

FDA | AnimalGAN Capabilities

AnimalGAN and Digital Animal Replacement Technology (DART) use historical data and human biology to simulate animal responses, minimizing the need for new animal tests.

Our AnimalGAN capabilities, powered by generative adversarial networks (GANs), outperforms standard QSAR models by generating comprehensive toxicology profiles with greater accuracy and efficiency.

Computer inner workings in the neon light

It excels at detecting rare toxicological events through unlimited virtual experiments

Pharmacological characterization of drug candidates to enhance efficacy and reduce late-stage attrition

Know Your Molecule

Imagine Biotech " Know Your Molecule™"
Biotech researchers are likely aware but not familiar of many cutting-edge molecular study technologies, but it would be an overstatement to say they know all the latest technologies.

Approximately 30% of drug failures in clinical trials are due to unmanageable toxicity.

The field is rapidly evolving, and the Imagine Biotech experts are on the forefront of the ability to de-risk the technology.

More Services

Know Your Molecule™

Know Your Molecule™ applies advanced computational chemistry, structural analysis, and bioinformatics to uncover molecular red flags, validate mechanisms of action, and predict toxicity — enabling smarter, faster drug development decisions.

Approximately 30% of drug failures in clinical trials are due to unmanageable toxicity.

ADMET Prediction & PK Modeling

ADMET and PK package for early detection of formulation challenges, integrating molecular data with physiological insights. AI in Drug Toxicity Prediction reduces late-stage failures, using six toxicity properties and Tox21 endpoints. We use about 40 quantum chemistry programs, including DFT packs.

Precision Solubility Screening

Solubilization is the critical first step in drug development, where intelligent, AI-driven modeling replaces costly trial-and-error to identify optimal excipients, enhance bioavailability, and accelerate formulation — all while saving millions in time and resources.

Molecular Docking/Pre-clinical Toxicology Reports

We use open-source AI/ML models, databases, and docking software for biotech due diligence. With over 80 docking tools, we analyze 3D structures of APIs with target proteins, using resources like NCBI Clinvar. We utilize AlphaFold3, Rosetta Commons, and quantum simulations for detailed structural analysis.

CMC Advisory and Consulting

Developing an IND application is a major milestone. Often, the CMC aspect is overlooked until too late, causing 40% of clinical holds. Ensuring drug quality, safety, and efficacy. Covering all aspects of drug development, from initial design through manufacturing, to ensure consistent quality and compliance.

Expert Technology Capabilities

Cutting edge of scientifc and technical due diligence. Our team offers:

Mass Spectrometry Assets
Nuclear Magnetic Resonance (NMR) Spectroscopy
Chromatography Techniques
Bioinformatics and Data Analysis Tools
Metabolite Databases
Fluxomics Tools