pith:CRLXGX6H
ChemCrow: Augmenting large-language models with chemistry tools
An LLM agent augmented with 18 chemistry tools autonomously plans and executes real syntheses.
arxiv:2304.05376 v5 · 2023-04-11 · physics.chem-ph · stat.ML
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\pithnumber{CRLXGX6HLNAR5TGXA74634JOUB}
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Claims
Our agent autonomously planned and executed the syntheses of an insect repellent, three organocatalysts, and guided the discovery of a novel chromophore. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks.
That the base large language model can reliably interpret tool outputs, avoid hallucinated chemistry, and produce valid multi-step plans without human correction or post-hoc filtering.
ChemCrow augments LLMs with 18 expert chemistry tools to autonomously plan and execute syntheses and guide molecular discoveries in organic synthesis, drug discovery, and materials design.
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| First computed | 2026-05-17T23:38:50.480970Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
1457735fc75b411eccd707f9edf12ea06da375736e27cd84892fb3461752f2e3
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· · · · ·Agent API
Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/CRLXGX6HLNAR5TGXA74634JOUB \
| jq -c '.canonical_record' \
| python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 1457735fc75b411eccd707f9edf12ea06da375736e27cd84892fb3461752f2e3
Canonical record JSON
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