Chemomics: Turning Screening Data Into Discovery Direction

Where others stop at hits, we start building strategy.

DEL technology has long promised to accelerate drug discovery but the technology still only scratched the surface. Traditional approaches zero in on a short list of binders, often ignoring more than 99% of the available data.

Chemomics is X-Chem’s answer to this gap.

Chemomics is X-Chem’s integrated approach to creating, analyzing, and applying omics-scale chemistry data, ensuring every data point drives discovery forward. We transform full DEL screen data into structure-activity roadmaps, mechanism-of-action insight and synthesis-ready design recommendations. Every data point informs a smarter next step – before synthesis even begins.

Inside the Engine

Target-Aligned DEL Screening

We start with high-integrity DEL experiments, with selection science tailored to your target and modes of action; designed for lead-likeness, deep-diversity, and structural tractability.

Deep Data Extraction & Modeling

Statistical enrichment analysis, computational data mining and machine learning help extract high-confidence signals from massive datasets – transforming noise into clarity.

Predictive Computational Insight

Structure–activity relationships are mapped across clustered families using ligand and structural methods, with AI applied selectively to improve accuracy and prioritize signals.

Multi-Parameter Design & Optmization

First pass synthesis and assay refines the models and hypothesis around structure-function, which is used for any further design need on optimizing properties. By front-loading programs with years worth of SAR and expert systems, we reduce the lengthy ‘iterative DMTA’ cycle to minimum.

Chemistry-Led Validation

Hypothesis-confirming compounds with predicted desired properties are synthesized off-DNA, confirming hits through real-world testing. No black box. No hand-off. Just transparent, expert-driven chemistry.

Data-Ready Decisions

From screen to IND, chemomics arms you with the nomination-ready data, mechanism of action insights and the candidate compounds you need to move forward confidently.

Tangible Outcomes Actionable Insights

  • Deep SAR and structure-function maps built from full-screen data
  • Extensive pharmacophore models that visualize compound-target interactions
  • Multiple routes to fast off-DNA synthesis
  • Mechanism of action insights and multi-pathway opportunity identification
  • Clear design rationale and documented workflows
  • Data packages that drive confident decisions, not just compound selection – suitable for machine learning, chemistry, or computational science.
We’re not just generating data. We’re driving decisions.

Why Chemomics Works

Built on 15+ years of DEL experience, chemomics integrates X-Chem’s chemical diversity, cutting-edge computational science and medicinal chemistry depth to reveal what others overlook.

What sets it apart?
  • High quality libraries of intentionally designed lead-like and drug-like molecules to probe targets
  • Statistical enhancement that separates signal from noise
  • Data shaped by real-world discovery partnerships
  • Well-proven experience across multiple modalities and target types, including covalent inhibitors, PPIs, GPCRs, E3 ligases, macrocycles, transcription factors and RNA binders
  • Consistent predictive value demonstrated across live programs
This is data designed for discovery, not just hit lists.

Designed for Drug Hunters

Chemomics was built with discovery teams in mind. Where timelines are tight, data must be defensible and decisions can’t rely on intuition alone.

We combine DEL data at scale with proprietary analysis and computational medicinal chemistry insight to give you:

  • High-confidence diverse hits with fewer false starts
  • Deep SAR maps guided by rich computational modeling
  • Clear progression toward nomination-ready leads

Ready for a Smarter Start?

Chemomics isn’t just rethinking how to interpret DEL data, it’s reimagining the way drug discovery begins.

By combining large-scale screening with meaningful modeling, it turns complex data into a competitive edge by front loading your project with years with of SAR.

Let’s start with more than a binder. Let’s start with a blueprint.