Full-process agentic drug discovery

From a scientific questionto a synthesis-aware candidate

EasternDawn builds traceable discovery systems that connect scientific agents, generative models, live evidence, and quantitative evaluators.

Manuscript claim

To our knowledge, the first multi-agent drug design framework that integrates and automates end-to-end discovery workflows for both small-molecule and peptide therapeutics.

4Collaborating agents
11Discovery capabilities
8Benchmark families
3End-to-end case studies

01 / Flagship platform

FROGENT coordinates the full discovery loop

A high-level goal becomes a task graph. Specialized agents gather evidence, generate candidates, evaluate them, and return diagnostics into a shared context for the next decision.

01

Orchestrate Agent

Plans, delegates, tracks state, and controls feedback loops.

02

Retrieve Agent

Gathers evidence from literature, databases, and live sources.

03

Forge Agent

Generates and optimizes candidates, then plans retrosynthesis.

04

Gauge Agent

Scores candidates through in silico evaluation and diagnostics.

Shared system memory

Global Context

  • Target brief and priors
  • Objectives and constraints
  • Candidate registry
  • Scores and failure diagnostics
  • Artifact and report index
Input

A scientific goal with explicit constraints

Target or modality, design objectives, thresholds, prior evidence, and human decisions.

Shared state

One inspectable record of the campaign

Task graph, evidence, candidates, scores, failure diagnostics, artifacts, and agent handoffs.

Output

A decision-ready scientific package

Ranked candidates, evaluation records, synthesis plans, provenance, and a consolidated report.

01

Define the goal

02

Retrieve evidence

03

Design candidates

04

Evaluate and refine

05

Plan synthesis

06

Deliver the report

03 / Capability surface

Eleven connected capabilities across one scientific workflow

Each capability can operate within FROGENT and can evolve into a dedicated MCP-connected engine or agent as the portfolio expands.

Shared context
Persistent project state across agents and stages
MCP interface
A common action surface for models, data, and tools
Human checkpoints
Oversight at consequential scientific decisions
  1. 01Information retrieval
  2. 02File acquisition
  3. 03Target identification
  4. 04Molecule generation
  5. 05Small-molecule docking
  6. 06Peptide docking
  7. 07Interaction analysis
  8. 08Lead optimization
  9. 09Property prediction
  10. 10Synthesis planning
  11. 11Report writing

04 / Research evidence

A platform claim backed by task-level evaluation

The supplied FROGENT manuscript reports comparisons with six progressively capable baselines across eight benchmark families, plus three end-to-end design case studies.

FROGENT manuscript architecture showing four agents, Global Context, MCP tools, and eleven discovery capabilities
Manuscript figure / Architecture

Four agents operate through shared state and one tool interface

The source figure details planning, retrieval, generation, evaluation, feedback, and the MCP-connected model and tool surface.

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FROGENT manuscript benchmark atlas comparing the system with six baselines across eight drug discovery tasks
Manuscript figure / Evaluation

Eight task families test the connected workflow end to end

FROGENT is shown in green against six progressively capable baselines. Definitions and scoring scales remain task specific.

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Benchmark atlas8 families
  1. 01Biomedical knowledge
  2. 02Known-drug retrieval
  3. 03Disease-target retrieval
  4. 04Absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction
  5. 05Virtual screening
  6. 06Binding interaction profiling
  7. 07De novo molecular design
  8. 08Retrosynthesis planning
Case study 01

Cardiomegaly and congestive heart failure

Target retrieval, structure acquisition, generation, screening, lead optimization, and retrosynthesis.

Case study 02

Glucagon-like peptide-1 (GLP-1) receptor peptide optimization

A design-evaluate-refine loop for peptide candidates under a consistent in silico protocol.

Case study 03

Carbonic anhydrase inhibitor optimization

Structure analysis, analogue generation, evaluation, and synthesis-path repair using retrieved evidence.

FROGENT end-to-end cardiomegaly and congestive heart failure case-study workflow from retrieval through generation, screening, optimization, and retrosynthesis
Manuscript figure / Case study

A complete computational trail from disease question to synthesis planning

The published workflow connects target retrieval, structure acquisition, candidate generation, ADMET and docking filters, lead optimization, and retrosynthetic planning.

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Figure provenance

Figures are reproduced from the user-supplied FROGENT manuscript package. They document computational architecture, benchmarks, and case studies; they do not represent wet-lab validation.

Evidence boundary

Benchmark and case-study statements summarize the supplied manuscript. Computational ranking and docking do not establish experimental efficacy, safety, affinity, or clinical performance.

05 / How we work

Platforms, discovery programs, and scientific partnerships

EasternDawn can deliver an integrated workflow, a focused scientific capability, or a research collaboration built around a defined discovery question.

01

Agentic discovery programs

Traceable workflows from target context through candidate design, evaluation, synthesis planning, and reporting.

02

MCP capability deployment

Specialized models, databases, and evaluators packaged as composable tools for scientific agents.

03

Custom scientific agents

Focused optimization and decision systems for molecules, peptides, PROTACs, aptamers, and future modalities.

04

Research partnerships

Joint method development, benchmark design, evidence review, and project-specific computational studies.

06 / EasternDawn

Scientific intelligence that compounds across every program

EasternDawn builds drug discovery systems that preserve scientific context across retrieval, design, evaluation, and decision-making. Every new engine and agent expands the capability surface of the same composable platform.

English name
EasternDawn
Chinese name
即白生科
Legal entity
将东方之既白生物科技(深圳)有限公司