VCDDVirtual-cell-driven drug design

FROM CHEMICAL SPACE TO CELLULAR OUTCOME

Drug design,
driven by cellular state.

Make the desired cellular outcome the starting point.

Move beyond structure alone. Define a target cellular state, propose molecules that may reproduce it, and use virtual-cell feedback to decide what to evaluate next.

The VCDD framework connects state-conditioned generation, complementary cellular readouts and adaptive search. Each molecular decision stays linked to its biological context and the evidence behind it.

Open VCDDExplore the research Model service not connected

THE VCDD FRAMEWORK

A cellular objective guides molecular design.

Framework schematic
  1. 01 / DEFINE
    Conceptual chromatin cutaway and target expression state

    Target cellular state

    Desired expression state, cell identity and supported treatment condition.

  2. 02 / GENERATE
    VCDD-01 structureVCDD-02 structureState-conditioned pool

    Molecular proposals

    Generate a chemically feasible pool before virtual-cell queries begin.

  3. 03 / EVALUATE
    Cellular cutaway illustrating virtual-cell evaluation

    Cellular consequences

    Evaluate target-state alignment and source-specific predicted sensitivity.

  4. 04 / SELECT
    Conceptual molecular candidates and two-objective feedback loop

    Feedback-guided choice

    Observed queries update local selection heads and guide the next query.

  5. 05 / REVIEW
    Conceptual molecular surface and conformer inspection

    Evidence & handoff

    Review structural risks and computational evidence before experimental consultation.

Query-local feedbackNext unqueried candidate from the same poolGeneration and virtual-cell models stay frozen.
The cellular state is the design objective. Feedback changes candidate selection, not the frozen virtual-cell models. Framework illustrations are conceptual; evaluated molecular structures are documented in Research.
Enter the design workspaceResearch approach

DESIGN / VCDD

Explore the design workspace.

Cellular context, molecular inspection and the design workflow in one workspace.

Open VCDD

EVIDENCE / RESEARCH

Follow the science and the decisions.

Research ideas, representative molecular results and the detailed feedback trajectory.

Explore Research

SUPPORT / RESOURCES

Find the right starting point.

Usage guides, frequently asked questions, file definitions and available records.

Open Resources