{"_canonicalization":{"envelope_id":"axm_ + sha256(envelope minus {signature, axiom_id, anchors})","envelope_signature":"ed25519(envelope minus {signature, axiom_id})","json":"sort_keys=True, separators=(',',':'), ensure_ascii=False, allow_nan=False, utf-8","leaf_hash":"sha256(0x00 || canonical_json(envelope_full))","seal_signature":"ed25519(seal minus {signature, sig_algorithm})"},"axiom_id":"axm_93afd788a8520db3b945b23a598007aeca3ffca561dbd6af6677427e9a0ecb36","bitcoin_anchor":{"bitcoin_attestations":[],"calendar_attestations":[],"ots_url":"","stamped_at":"","status":"pending_next_stamp"},"envelope":{"anchors":[{"chain":"crovia.axiom_graph","height":0,"merkle_proof":"spider_vendor_press_v1","root_at_anchor":"spider_vendor_press_v1"}],"axiom_id":"axm_93afd788a8520db3b945b23a598007aeca3ffca561dbd6af6677427e9a0ecb36","axiom_type":"AX.OBS","body":{"axiom_subtype":"news.vendor_press.v1","category":"news","fingerprint":"efe36a799f02270b1fc6c76afc585f3bc24c99d897468d798c297ccafbfa8a6c","published":"Tue, 30 Jun 2026 00:00:00 -0400","receipt_hash":"efe36a799f02270b1fc6c76afc585f3bc24c99d897468d798c297ccafbfa8a6c","schema":"spider.news.vendor_press.v1","spider":"vendor_press","spider_record":{"axiom_subtype":"news.vendor_press.v1","category":"news","decision_hint":"POSITIVE","envelope_target":"AX.OBS","fingerprint":"efe36a799f02270b1fc6c76afc585f3bc24c99d897468d798c297ccafbfa8a6c","observed_at":"2026-06-30T04:43:04.087680Z","parent_run_hash":"74f7ab392cc702044101fe24a76a2fdad11164cd79ce725aad6c446a477e89c5","published":"Tue, 30 Jun 2026 00:00:00 -0400","runtime_version":"0.1.0","schema":"spider.news.vendor_press.v1","source_status":200,"source_url":"https://export.arxiv.org/rss/cs.AI","spider":"vendor_press","summary_excerpt":"arXiv:2606.29776v1 Announce Type: cross \nAbstract: Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods face a critical trade-off: database retrieval cannot identify novel scaffolds, while de novo molecular structure elucidation models operate as black boxes, lacking the atom-level interpretability required for rigorous scientific validation. Here, we present NMRAgent, an evidential reasoning agent powered by large language models (LLMs) that bridges this gap by integrating specialized spectral analysis tools with chemical knowledge graphs. Unlike previous approaches, NMRAgent mimics the deductive reasoning of human experts: it takes experimental NMR spectra and molecular formula as input, plans the elucidation process, proposes candidate structures, verifies peak","title":"Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent","url":"https://arxiv.org/abs/2606.29776","vendor":"arxiv_cs_ai"},"summary":"arXiv:2606.29776v1 Announce Type: cross \nAbstract: Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods face a critical trade-off: database retrieval cannot identify novel scaffolds, while de novo molecular structure elucidation models operate as black boxes, lacking the atom-level interpretability required for rigorous scientific validation. Here, we present NMRAgent, an evidential reasoning agent powered by large language models (LLMs) that bridges this gap by integrating specialized spectral analysis tools with chemical knowledge graphs. Unlike previous approaches, NMRAgent mimics the deductive reasoning of human experts: it takes experimental NMR spectra and molecular formula as input, plans the elucidation process, proposes candidate structures, verifies peak","title":"Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent","vendor":"arxiv_cs_ai"},"confidence":{"method":"deterministic"},"decision":"POSITIVE","issued_at":"2026-06-30T04:43:04Z","notes":"Spider vendor_press (news) news.vendor_press.v1","object":{"captured_by":"crovia.spider.vendor_press","primary_source_url":"https://arxiv.org/abs/2606.29776"},"predecessors":[],"schema":"crovia.axiom.v1","signature":"ed25519:cd80665e4478d463cdf40ad50dda863b79ba3fbd7bd0113a51bb3fa8aea9c442d480939a5c722d8e1ca6b846b69faf578acc2099fe34aa9a1f512080bf5e9007","signer":"crovia.substrate","subject":{"observed_at":"2026-06-30T04:43:04Z","source_collector":"spider:vendor_press","target_id":"https://arxiv.org/abs/2606.29776"},"tsa":{"authority":"crovia.substrate.bootstrap","rfc3161_token":"{\"kind\":\"crovia.bootstrap.tsa\",\"source_jsonl\":\"/opt/crovia/spider/data/news/vendor_press_v1.jsonl\",\"source_seal_merkle_root\":\"spider_vendor_press_v1\",\"upgrade_path\":\"Sessione H \\u2014 OpenTimestamps weekly anchor\"}"},"zk_mode":"clear","zk_proof":null},"ledger":{"leaf_hash":"fb87d80db105adcc2e68c6728e33bba5d55e3c4b5db9f509b4f0b1cc155c79d0","leaf_index":264941,"ledger_path":"/opt/crovia/substrate/axiom_ledger.jsonl"},"merkle_proof":{"hash_alg":"sha256","leaf_prefix":"0x00","node_prefix":"0x01","odd_leaf_rule":"duplicate_last","path":[{"sibling":"5552b7d447e83a6c1f268492fbcb40f030dae894e92846855c2e8881161b4d93","side":"left"},{"sibling":"f4692659b25dc8fa2872dcde98255e015102702dbfa90846b5eecdaa5685ab7d","side":"right"},{"sibling":"c9bc9725c7dc27c0a29c754a87126c33593a0285bb9bda4e9755799bb1cba751","side":"left"},{"sibling":"627a6beb573ad6b33e15816e916be31fd0a003c26a1f66541c2181fcadd5fc66","side":"left"},{"sibling":"395e839fd7c24afb5097882bd1356f77198222306c5ecf398c59ef0bc659997a","side":"right"},{"sibling":"5afa719fed6bf20458cb57f93005e799606deddcec7186b00097a0b05d5361d6","side":"left"},{"sibling":"4330bdf65b90bf9ea57b2b83a3c8e878c009cfc7f28a23b0d78d0b53451c71a6","side":"left"},{"sibling":"86ba07f5dfcbf22e044b5aa0ecc15cd2f29de9218e54da603c4ffe753c522516","side":"left"},{"sibling":"5767f14b55df4212d25ae2f52b8f3d4abff2555c65ba62935ed6cb0a8e617b43","side":"right"},{"sibling":"1549a8883ab3267f958dc2624919e40c65c82958b8005967ed6a4da1247da0ad","side":"left"},{"sibling":"23994bf0974e5c9c7f63a61b4f0a48b0ca756a4adc34a8f85f878e774c37dfbe","side":"right"},{"sibling":"f9b4bed84fa6990c71ad2887c91bda183001f05f6b648f21d1273045a26b11fd","side":"left"},{"sibling":"173d2dc4b29ee04ea41d6d0ebc334c4bc2d46e7ee4230c94765413f24fb4bc42","side":"right"},{"sibling":"112461f7c0ec411116fb5c6c90fe95cea9d8f188b9fe08afe25a837ac02d0071","side":"right"},{"sibling":"ea9488204352c49db8f7daf05eefcd7628ecf9413830346674801a99d0654a94","side":"right"},{"sibling":"6261c13b9922cb657f10d1e5d36ec15d8771cf8766e36c61dcbffb7bed57e396","side":"right"},{"sibling":"fa19aa3faf287618b820bcfceebb366152ad521dd20ef9f51e977816663e448b","side":"right"},{"sibling":"c32f943406b62d1fc59b7f7e243492174c8e1caba8c8a2705f86c773315736e0","side":"right"},{"sibling":"1cecb7f447febd025aac272837c80de218aecc6485d2395a509b2a1f1b9c746e","side":"left"}]},"schema":"crovia.axiom_proof.v1","seal":{"first_collector_run_id":"","first_receipt_hash":"","jsonl_path":"/opt/crovia/substrate/axiom_ledger.jsonl","key_id":"430895f101d38164","last_collector_run_id":"","last_receipt_hash":"","leaf_count":265374,"merkle_root":"9636001ecab173cb6af10dc7c71eb14585daa62f9c0a6f027046f05633156891","public_key_hex":"cf742e26f75669dc673cb5c0786a1ae23ae8ca19c347317192ce40c28a7ff25c","run_id":"hourly_json_retrofit_20260630T053701Z","schema":"crovia.seal.v1","seal_family_version":"crovia-seal-family/1","seal_kind":"substrate_batch","sealed_at":"2026-06-30T05:38:03Z","sig_algorithm":"ed25519","signature":"6d4b8fd9b9da856cbb5fba7540877c6a63fa18a5ec3eaf28dc4d6d1c64921c9c0565f8c95f4b7aec0e7744fd7754844f051baf863db708cad768765b416a7b0c","signer_version":"1.1.0"},"trust_root":{"key_id":"430895f101d38164","public_key_hex":"cf742e26f75669dc673cb5c0786a1ae23ae8ca19c347317192ce40c28a7ff25c","signature_algorithm":"ed25519","url":"/registry/canon/TRUST_ROOT.md"},"verifier":{"spec":"/registry/canon/AXIOM_RECEIPT_v1.md","url":"/v/axm_93afd788a8520db3b945b23a598007aeca3ffca561dbd6af6677427e9a0ecb36"}}