Now in Beta — Chemora Canvas v3.3

AI-Powered Chemistry Intelligence for Drug Discovery

Professional molecular structure drawing, AI-driven retrosynthetic analysis, and reaction prediction — all in one integrated platform built for pharmaceutical R&D and CROs.

10M+
Reaction Database
94%
Prediction Accuracy
5x
Faster Route Planning
Chemora Canvas — Aspirin.mol
C O OH O C O CH₃
Properties
FormulaC₉H₈O₄
MW180.16
LogP1.19
TPSA63.6 Ų
HBD1
HBA4

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Everything You Need for Modern Chemistry R&D

From molecule sketching to synthesis planning, Chemora provides an integrated toolkit designed for today's computational chemistry workflows.

Structure Drawing Canvas 4.0

Professional chemical structure drawing engine. 65+ tools, 9 ring types, 11 bond types. Rivals ChemDraw with AI-native intelligence built in.

SMILES InChI .mol/.sdf Stereo ACS Spec SVG Export

AI Reaction Prediction

Predict reaction outcomes with 94% accuracy using transformer models trained on millions of experimental reactions.

AI Synthesis Retro-synthesis

AiZynthFinder + ASKCOS. Multi-step route planning with 200K+ templates.

200K+ Reaction Templates 50M+ USPTO Reactions in RAG Yield Intelligence Bayesian Optimization

Drug Discovery ADMET Prediction

DeepChem ADMET, LogP, pKa, TPSA, Lipinski filters, AutoDock Vina docking. Real-time on drawn molecules.

Knowledge Retrieval RAG Chemistry Search

ChemBERTa + Qdrant + Neo4j knowledge graph. Hybrid dense + sparse retrieval with Cohere reranking. SciFinder-class search, AI-native speed.

Lab Records ELN

21 CFR Part 11 compliant electronic lab notebook. Canvas embedded, spectra attached, yield tracked. GMP-ready for CRO deployment.

From Idea to Synthesis in 4 Steps

Chemora streamlines your entire drug discovery workflow.

1

Draw Your Molecule

Use our professional canvas to sketch target compounds with full stereochemistry support.

2

AI Analysis

Get instant property predictions, ADMET profiles, and drug-likeness scores.

3

Retrosynthesis

Generate multiple synthesis routes ranked by cost, yield, and feasibility.

4

Export & Execute

Export to your ELN, order reagents, and start synthesis with confidence.

Accelerate Discovery with Intelligent Chemistry

Our AI models are trained on proprietary datasets curated from millions of reactions.

AI-Driven Retrosynthesis

Advanced graph neural networks identify optimal disconnection strategies, evaluating thousands of routes in seconds with commercial availability checks.

Multi-step Planning Cost Analysis

Reaction Outcome Prediction

Predict products, yields, and side reactions before you step into the lab. Our models achieve 94% accuracy on benchmark datasets.

Yield Prediction Side Products

ADMET & Toxicity Profiling

Real-time prediction of absorption, distribution, metabolism, excretion, and toxicity properties as you design molecules.

hERG Liability CYP Inhibition

Chemical Space Exploration

Generate novel analogs with optimized properties using our generative AI models trained on drug-like chemical space.

Novel Scaffolds Property Optimization
94%

Model Accuracy

Benchmark results on 10M+ curated reactions.

Built for Pharmaceutical & CRO Teams

Secure, scalable, and compliant — Chemora integrates seamlessly into your existing R&D infrastructure.

Security & Compliance

SOC 2 Type II certified with end-to-end encryption. Deploy on-premise or in your private cloud.

SOC 2GDPR21 CFR Part 11

API & Integrations

RESTful APIs for seamless integration with ELN systems, LIMS, and existing workflows.

REST APIPython SDKSSO

Team Collaboration

Real-time collaboration with role-based access control and audit logging.

Real-time SyncRBACAudit Logs

Let's Connect

Ready to transform your chemistry R&D? Reach out through any channel that works for you — we're here to help.

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