R&D SDS: Pro at $99/mo, 12 draft documents — Subscribe to Pro — $99/mo
SDS in 60 seconds — even for compounds not yet in PubChem
R&D SDS for novel intermediates, synthesized compounds, and proprietary formulations. Instant. Compliant. No database lookup required.
Sign in with Google, then receive each draft SDS by email within 60 seconds
See a sample R&D SDS before you buy ↓
1 demo per IP every 24 hours. Uses a watermarked fictional example so prospects can evaluate the full R&D SDS structure before subscribing.
PROXY SAFETY DATA SHEET
ChemEngine Datatools — R&D Edition
Rev. 1 · 2026
Generated by ChemEngine Datatools
R&D PROXY · Page 1 of 8
Built for the researchers who work before the database exists
Pricing
Two plans for CRO and pharma teams
Pro at $99/mo covers 12 draft R&D SDS. Enterprise at $1,000/mo is unlimited, with API access.
Both plans are monthly subscriptions. There is no one-time R&D SDS: the $5 Standard Document path covers known chemicals instead.
Pro
12 draft R&D SDS per month
Google sign-in required
- SMILES, InChI, CAS or name input
- Read-across proxy matching, Tanimoto 0.85 or above
- Full 16-section draft SDS with the proxy named per section
- Confidence disclosure on every inferred section
- Research and Developmental Use watermark
- 20 test-data uploads per month to replace inferred values
- AI review pass on each draft
- Editable .docx and PDF, delivered by email
Monthly subscription, cancel anytime
Enterprise
Unlimited draft documents
Includes REST API access
- Everything in Pro
- Unlimited draft documents per month
- REST API access with JSON delivery
- Confidence metadata returned per section
- Regeneration on download, up to 50 documents a day
- Regulatory currency stamp on each document version
- Named support contact and response commitment
- Custom billing cycle
Monthly subscription, cancel anytime
| Feature | Pro | Enterprise |
|---|---|---|
| Draft documents per month | 12 | Unlimited |
| SMILES, InChI, CAS or name input | ||
| Read-across proxy matching, Tanimoto 0.85 or above | ||
| 16-section draft SDS on the GHS format | ||
| Confidence disclosure per section | ||
| Editable .docx and PDF | ||
| Test-data upload | 20 per month | Unlimited |
| AI review pass | ||
| REST API access | — | |
| Confidence metadata in JSON | — | |
| Regeneration on download | — | 50 per day |
| Named support contact | — |
The Problem
Your Safety Officer Needs Documentation. Your Compound Doesn't Exist Yet.
No CAS number in any database
Your novel research compound — synthesized in-house, under NDA — doesn't appear in PubChem, ChemSpider, or ECHA CHEM. Standard SDS generators return nothing.
Traditional SDS takes weeks and thousands
Commissioning a toxicologist to write a custom SDS for a pre-candidate compound costs $2,000–$8,000 and takes 3–6 weeks. Most discovery compounds never make it that far.
The compound can't enter the lab without documentation
OSHA HazCom and internal safety protocols require SDS documentation before a chemical can be handled. No SDS means no lab work.
The Solution
ChemEngine Builds a Proxy SDS — Scientifically Justified, and Shows Its Working.
“Your safety officer needs documentation before the compound enters the lab. Your CAS number doesn't exist in any database. ChemEngine builds a proxy SDS using read-across from structurally similar compounds — documented against ECHA RAAF guidance.”
Structural similarity search (Tanimoto ≥ 0.85)
We find the closest known analog in ECHA's database using Tanimoto coefficient scoring. Only high-confidence matches above 0.85 are used.
ECHA read-across methodology
Hazard data is carried across from the reference compound using ECHA's documented Read-Across Assessment Framework (RAAF). Conservative classifications are applied.
Audit trail baked in
Every section discloses the proxy source, similarity score, and confidence level. Your safety officer sees exactly what was estimated vs. confirmed.
Ready in under 10 minutes — not 6 weeks.
Submit your SMILES, InChI, or compound name. We return a complete 16-section proxy SDS as an editable .docx with your lab's name on it.
How It Works
From Compound Input to a Reviewable Draft SDS in 4 Steps
Submit your compound
Paste a SMILES string, InChI/InChIKey, partial CAS, compound name, or molecular formula.
Proxy matching
We search ECHA's database for the closest structural analog with Tanimoto ≥ 0.85 and verified safety data.
Read-across generation
Hazard, physical, and toxicological data is carried across with ECHA RAAF methodology. Conservative sections applied.
Delivery
Your 16-section proxy SDS arrives as a white-labeled editable .docx with full confidence disclosure and audit trail.
Accepted input formats:
Free Demo
Try a free demo SDS before you subscribe
Generate one watermarked sample from the live R&D SDS engine. Use the fictional example below or swap in your own compound name and placeholder CAS.
Live Preview Slot
Your demo output will render here
The preview shows the same 16-section R&D SDS structure, read-across disclosure, and regulatory framing prospects would get after subscribing.
Sample Output
See exactly what a Pro R&D SDS delivers
Preview the real document format below — or download a sample .docx right now.
No database record needed — we generate from your compound input
PROXY SAFETY DATA SHEET
ChemEngine Datatools — R&D Edition
Rev. 1 · 2026
RD-2026-001
··· Sections 3–8, 10–16 continue in full document (16 sections, ~12 pages) ···
Generated by ChemEngine Datatools
R&D PROXY · Page 1 of 12
All 16 GHS sections included:
- 01Identification
- 02Hazards Identification
- 03Composition / Ingredients
- 04First-Aid Measures
- 05Fire-Fighting Measures
- 06Accidental Release Measures
- 07Handling and Storage
- 08Exposure Controls / PPE
- 09Physical & Chemical Properties
- 10Stability & Reactivity
- 11Toxicological Information
- 12Ecological Information
- 13Disposal Considerations
- 14Transport Information
- 15Regulatory Information
- 16Other Information + Proxy Audit Trail
Monthly subscription · Google sign-in required · Delivered by email
Compliance & Trust
Scientifically Grounded. Regulatory-Aware.
Every proxy SDS is generated against documented ECHA methodology and discloses its data provenance transparently.
Proxy SDS backed by Tanimoto similarity ≥0.85 to confirmed compounds
We only generate proxy SDS when we can find a structurally similar reference compound with a Tanimoto score at or above 0.85 in ECHA's chemical database — the threshold accepted under ECHA's Read-Across Assessment Framework (RAAF) for data bridging. If no qualifying analog exists, we tell you — no document is generated.
GHS Rev. 7
UN Globally Harmonized
ECHA RAAF
Read-Across Framework
OSHA HazCom
29 CFR 1910.1200
EU REACH
Annex II SDS
EU CLP
Regulation 1272/2008
GLP Ready
Audit trail included
R&D Use Disclaimer: Proxy SDS documents are generated for internal research and development use only. They are not suitable for commercial product distribution, REACH registration submissions, or transport of materials for commercial sale. Appropriate laboratory safety controls should be maintained regardless of proxy SDS classification.
New to R&D SDS?
Learn how CROs and pharma labs generate safety data sheets for novel compounds not in any database.
FAQ
Common Questions
What is a proxy SDS?
A proxy SDS (also called a read-across SDS) is a Safety Data Sheet generated for a novel compound by borrowing safety data from a structurally similar, well-documented compound. Rather than leaving your lab with no documentation at all, it provides a conservative, science-based estimate of hazard properties. ChemEngine uses ECHA's Read-Across Assessment Framework (RAAF) methodology and only bridges data from compounds with Tanimoto similarity ≥0.85 — the accepted threshold for high-confidence structural analogy. Every section that uses estimated data is clearly labeled.
Is a proxy SDS legally defensible for R&D use?
Yes — within scope. For internal R&D and laboratory handling purposes, a proxy SDS generated via documented read-across methodology satisfies OSHA's HazCom requirement that employees have access to chemical hazard information. The key conditions: (1) it must be clearly labeled as a proxy/estimated document, (2) the methodology must be documented (ours uses ECHA RAAF, disclosed per section), and (3) it is not suitable for commercial distribution under GHS/HazCom regulations, REACH registration, or transport of materials for commercial sale. Your EHS team should review prior to use as official lab documentation. We include a mandatory 3-step acknowledgment in the generation flow that captures these limitations.
What input formats are accepted?
ChemEngine accepts five input types for novel compounds: (1) SMILES string — preferred, provides the best Tanimoto scoring accuracy; (2) InChI or InChIKey — converted to SMILES server-side via RDKit; (3) Partial or non-standard CAS — used as fallback text search in PubChem; (4) Compound name or internal designation (e.g., 'Compound 23B', 'NVX-301') — triggers PubChem fuzzy name search; (5) Molecular formula (e.g., C₁₄H₁₉N₃O₂) — lowest precision, generates multiple proxy candidates for you to select from. SMILES is strongly recommended for unambiguous compound identification and highest proxy match quality.
Your Safety Officer Is Waiting — Subscribe and Generate Now
Don't let missing documentation block your discovery pipeline. Subscribe to Pro at $99/mo for 12 draft R&D SDS, or choose Enterprise at $1,000/mo for unlimited documents and API access.
Pro $99/mo · Enterprise $1,000/mo · Cancel anytime
Free Demo SDS
Not ready to subscribe? Get a free demo SDS
Enter your compound name and email — we'll send you a sample SDS in minutes, no credit card required.
Proxy SDS documents are generated for internal R&D use only and are not suitable for commercial distribution, REACH registration, or transport documentation. ChemEngine Datatools is not a registered regulatory consultant. Always review generated documents with your EHS team prior to use as official safety documentation.