Agrochemical Discovery Copilot

From target to candidate, in one conversation.

Relay Chem is an AI copilot for agrochemical discovery — one unified agent with specialized tools for molecular design, target binding prediction, ecotox prediction, resistance scoring, and SAR analysis.

relay — new session
YOU
RELAY

Thinking...

Running multi-tool workflow across Target Binding, ChemSpace Navigator, and Ecotox Predictor...

ALS target dock ✓ 8 analogs generated ✓ Ecotox scored ✓ 2 flagged: Pro197 risk

6 candidates pass all filters. V-3, V-5, V-7 show highest predicted ALS binding (Km <0.8nM) and soil T½ <22 days. Queue for synthesis planning or run a resistance-liability check?

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Core Capabilities

Every discovery tool. One agent.

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Target Binding Prediction
Structure-based docking and ML scoring against ALS, ACCase, PSII, and AChE — the four dominant pesticidal target classes
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Chemical Space Navigator
Generative design with multi-parameter optimization across activity, crop selectivity, and physical properties simultaneously
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Ecotox & ADME
Soil half-life, aquatic toxicity, bee safety LD50, and mammalian metabolite profiles predicted before any synthesis spend
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Resistance Liability Scorer
Flag molecules with elevated mutation-driven resistance risk (Pro197, Trp574, Ile1781) at the design stage — unique to agrochemicals
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SAR Explorer
Surface structure-activity patterns across your compound history and published literature — no manual data trawling
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3D Structure Viewer
Load and inspect target protein structures in 3D — the relevant binding-site structure surfaces automatically alongside every docking prediction
DISCOVERY PROGRAMS

Built for every mode of action.

HERBICIDE DISCOVERY — ALS & ACCASE PROGRAMS
Dock whole analog libraries into the target pocket and rank every candidate by predicted affinity and resistance liability before you commit to synthesis.
ΔG · Kd
predicted per compound
0–100
resistance liability index
ALS · ACCase
target panels supported
INSECTICIDE DISCOVERY — AChE TARGET PROGRAMS
Predict bee, aquatic and mammalian toxicity across a full series and flag every compound against safety thresholds before any synthesis spend.
>100μg
bee LD50 threshold checked
6 endpoints
ecotox & ADME predicted
Batch
series scored in parallel
FUNGICIDE DISCOVERY — DESIGN & SAR PROGRAMS
Generate diverse new chemotypes around a seed, map the SAR landscape across your assay series, and rank analogs by multi-objective trade-offs.
Pareto
multi-objective design
Tanimoto
diversity-filtered analogs
SAR
activity-cliff mapping

Accelerate your discovery cycle.

Currently in private beta with select agrochemical and ag-biotech teams.