Biological Screening & ADME
Turn synthesized compounds into validated candidates — our biological screening and ADME service, powered by our partnership with Partex.ai Labs, delivers rigorous in vitro profiling and AI-assisted ADMET prediction to de-risk your program before preclinical development.
Virtual screening at scale :
Partex.ai Labs brings over 16 years of expertise in predictive assay development and high-throughput screening, having spun out of Amgen's High Throughput Center. Their team has delivered over 300 million data points across a broad portfolio of target classes — GPCRs, ion channels, enzymes, and RNA-binding proteins — achieving a 95% success rate across diverse cellular models. Their proprietary ADMETron™ platform further extends this capability by enabling fast, AI-powered ADMET and toxicity predictions directly from molecular structure (SMILES input), empowering design teams to anticipate and eliminate liabilities earlier than ever.
Partex.ai Labs brings over 16 years of expertise in predictive assay development and high-throughput screening, having spun out of Amgen's High Throughput Center. Their team has delivered over 300 million data points across a broad portfolio of target classes — GPCRs, ion channels, enzymes, and RNA-binding proteins — achieving a 95% success rate across diverse cellular models. Their proprietary ADMETron™ platform further extends this capability by enabling fast, AI-powered ADMET and toxicity predictions directly from molecular structure (SMILES input), empowering design teams to anticipate and eliminate liabilities earlier than ever.
Virtual screening at scale :
Within the Oxeltis consortium, biological data flows directly back into the design–make–test cycle: assay results inform the next round of medicinal chemistry decisions and CADD models, creating a continuously improving optimization loop. Whether you need a focused SAR assay panel, a first-pass ADME screen, or a comprehensive preclinical profiling package, we design the experimental plan around your program's specific stage and objectives.
02 — The partnership
A Partnership for Smarter Discovery: Oxeltis & Molecular Forecaster
To redefine what’s possible in early-stage drug discovery, Oxeltis has joined forces with Molecular Forecaster, a pioneer in Computer-Aided Drug Design (CADD). Together, we don’t just identify hits—we engineer success from the very first step.
Our integrated approach addresses the most pressing challenges of hit discovery: speed, accuracy, and scalability.
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Virtual screening at scale :
Unlocking chemical diversity
Molecular Forecaster’s state-of-the-art computational platform enables us to screen millions of compounds in silico, leveraging advanced algorithms to predict binding affinities, ADMET properties, and synthetic accessibility. By harnessing machine learning and structural bioinformatics, we rapidly narrow down vast chemical libraries to a highly curated set of candidates, each selected for its potential to become a viable hit.
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Expert curation :
Bridging Theory and Practice
Not all computationally promising hits are created equal. Oxeltis' medicinal chemistry expertise ensures every candidate is validated, refined and prioritised:
- Synthetic feasibility:
Can the compound be efficiently synthesized at scale?
- Drug-likeness:
Does it meet the criteria for solubility, permeability, and metabolic stability?
- Developability:
Is it a strong foundation for future optimization?
This human-in-the-loop approach guarantees the hits we advance are both theoretically sound and practically viable.
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Seamless Transition to Hit-to-Lead:
Building Momentum
Finding a hit is only the beginning. Oxeltis’ expertise in fine organic synthesis ensures that your selected hits are rapidly validated and optimized for the next phase. Our chemists work closely with your team to:
- Confirm activity through rigorous biochemical and cellular assays.
- Explore Structure-Activity Relationships (SAR) to identify the most promising chemical series.
- Lay the groundwork for lead optimization, so you can move forward with confidence.
By combining computational agility with hands-on chemical mastery, we don’t just deliver hits—we deliver a clear, actionable path forward.
Why This Partnership Works for You
In a landscape where time and precision are everything, our collaboration with Molecular Forecaster gives you a competitive edge. Whether you’re a biotech startup with limited resources or a mid-pharma company looking to de-risk your pipeline, we provide: