{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:HPR2MFN47TWPZNCINIBD2NAOAX","short_pith_number":"pith:HPR2MFN4","canonical_record":{"source":{"id":"2508.11860","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"cs.AI","submitted_at":"2025-08-16T01:05:26Z","cross_cats_sorted":["cs.CL"],"title_canon_sha256":"3f712640e29c633e4b128cf59915f6a37e3d088174bf50a789cedc8326b98cb2","abstract_canon_sha256":"991e9bbb87b56b4ae9289dfd0e612c787d3b89b95f3c488553d50978fbf342fe"},"schema_version":"1.0"},"canonical_sha256":"3be3a615bcfcecfcb4486a023d340e05d7bfdfe6bf000081f77d7a52079eef13","source":{"kind":"arxiv","id":"2508.11860","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2508.11860","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"arxiv_version","alias_value":"2508.11860v1","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2508.11860","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_12","alias_value":"HPR2MFN47TWP","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_16","alias_value":"HPR2MFN47TWPZNCI","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_8","alias_value":"HPR2MFN4","created_at":"2026-07-05T11:54:55Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:HPR2MFN47TWPZNCINIBD2NAOAX","target":"record","payload":{"canonical_record":{"source":{"id":"2508.11860","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"cs.AI","submitted_at":"2025-08-16T01:05:26Z","cross_cats_sorted":["cs.CL"],"title_canon_sha256":"3f712640e29c633e4b128cf59915f6a37e3d088174bf50a789cedc8326b98cb2","abstract_canon_sha256":"991e9bbb87b56b4ae9289dfd0e612c787d3b89b95f3c488553d50978fbf342fe"},"schema_version":"1.0"},"canonical_sha256":"3be3a615bcfcecfcb4486a023d340e05d7bfdfe6bf000081f77d7a52079eef13","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:54:55.789096Z","signature_b64":"r4NaQtCcKoPaLGyyGI4P7vNG/sKORaNAoDfU0HtknIpZ6yzBv8+sq2trCO3O2VFj31BX0D0/ZXAWunlJXg4uBA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3be3a615bcfcecfcb4486a023d340e05d7bfdfe6bf000081f77d7a52079eef13","last_reissued_at":"2026-07-05T11:54:55.788636Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:54:55.788636Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2508.11860","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T11:54:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"zPZzAYu6X2FOk6FFQpfekCRCZmX246EEmgA29AijfdIs/IFTpXHs0/i2OoZ7Iezy/3MkYBw3PdfQ+NnFtFMuAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-21T15:03:09.569353Z"},"content_sha256":"265edb8bf441d589ebf64854eb19f37fcaa79c022b0d5d9d0aed3d239dec8934","schema_version":"1.0","event_id":"sha256:265edb8bf441d589ebf64854eb19f37fcaa79c022b0d5d9d0aed3d239dec8934"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:HPR2MFN47TWPZNCINIBD2NAOAX","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"LARC: Towards Human-level Constrained Retrosynthesis Planning through an Agentic Framework","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":["cs.CL"],"primary_cat":"cs.AI","authors_text":"Botao Yu, Daniel Adu-Ampratwum, Frazier N. Baker, Huan Sun, Reza Averly, Xia Ning","submitted_at":"2025-08-16T01:05:26Z","abstract_excerpt":"Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, such as constrained retrosynthesis planning. Constrained retrosynthesis planning is an essential, yet challenging, process within chemistry for identifying synthetic routes from commercially available starting materials to desired target molecules, subject to practical constraints. Here, we present LARC, the first LLM-based Agentic framework for Retrosynthesis planning under Constraints. LARC incorporates agentic constr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2508.11860","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2508.11860/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T11:54:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ZCEw4NQ+wmX3SP3gyGXcAfyvLkK8w7cqU/VFCDChDUgCVgOViRCBqhUDtq8y9QgzYrcMiWFez+F5mcdMGWfpCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-21T15:03:09.569865Z"},"content_sha256":"92ba1313e6242b4026efa63bd96f76b9d6ddd826c972b8b577ec9e0d3c646f53","schema_version":"1.0","event_id":"sha256:92ba1313e6242b4026efa63bd96f76b9d6ddd826c972b8b577ec9e0d3c646f53"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/HPR2MFN47TWPZNCINIBD2NAOAX/bundle.json","state_url":"https://pith.science/pith/HPR2MFN47TWPZNCINIBD2NAOAX/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/HPR2MFN47TWPZNCINIBD2NAOAX/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-21T15:03:09Z","links":{"resolver":"https://pith.science/pith/HPR2MFN47TWPZNCINIBD2NAOAX","bundle":"https://pith.science/pith/HPR2MFN47TWPZNCINIBD2NAOAX/bundle.json","state":"https://pith.science/pith/HPR2MFN47TWPZNCINIBD2NAOAX/state.json","well_known_bundle":"https://pith.science/.well-known/pith/HPR2MFN47TWPZNCINIBD2NAOAX/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:HPR2MFN47TWPZNCINIBD2NAOAX","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"991e9bbb87b56b4ae9289dfd0e612c787d3b89b95f3c488553d50978fbf342fe","cross_cats_sorted":["cs.CL"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"cs.AI","submitted_at":"2025-08-16T01:05:26Z","title_canon_sha256":"3f712640e29c633e4b128cf59915f6a37e3d088174bf50a789cedc8326b98cb2"},"schema_version":"1.0","source":{"id":"2508.11860","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2508.11860","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"arxiv_version","alias_value":"2508.11860v1","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2508.11860","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_12","alias_value":"HPR2MFN47TWP","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_16","alias_value":"HPR2MFN47TWPZNCI","created_at":"2026-07-05T11:54:55Z"},{"alias_kind":"pith_short_8","alias_value":"HPR2MFN4","created_at":"2026-07-05T11:54:55Z"}],"graph_snapshots":[{"event_id":"sha256:92ba1313e6242b4026efa63bd96f76b9d6ddd826c972b8b577ec9e0d3c646f53","target":"graph","created_at":"2026-07-05T11:54:55Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2508.11860/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, such as constrained retrosynthesis planning. Constrained retrosynthesis planning is an essential, yet challenging, process within chemistry for identifying synthetic routes from commercially available starting materials to desired target molecules, subject to practical constraints. Here, we present LARC, the first LLM-based Agentic framework for Retrosynthesis planning under Constraints. LARC incorporates agentic constr","authors_text":"Botao Yu, Daniel Adu-Ampratwum, Frazier N. Baker, Huan Sun, Reza Averly, Xia Ning","cross_cats":["cs.CL"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"cs.AI","submitted_at":"2025-08-16T01:05:26Z","title":"LARC: Towards Human-level Constrained Retrosynthesis Planning through an Agentic Framework"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2508.11860","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:265edb8bf441d589ebf64854eb19f37fcaa79c022b0d5d9d0aed3d239dec8934","target":"record","created_at":"2026-07-05T11:54:55Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"991e9bbb87b56b4ae9289dfd0e612c787d3b89b95f3c488553d50978fbf342fe","cross_cats_sorted":["cs.CL"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"cs.AI","submitted_at":"2025-08-16T01:05:26Z","title_canon_sha256":"3f712640e29c633e4b128cf59915f6a37e3d088174bf50a789cedc8326b98cb2"},"schema_version":"1.0","source":{"id":"2508.11860","kind":"arxiv","version":1}},"canonical_sha256":"3be3a615bcfcecfcb4486a023d340e05d7bfdfe6bf000081f77d7a52079eef13","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3be3a615bcfcecfcb4486a023d340e05d7bfdfe6bf000081f77d7a52079eef13","first_computed_at":"2026-07-05T11:54:55.788636Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:54:55.788636Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"r4NaQtCcKoPaLGyyGI4P7vNG/sKORaNAoDfU0HtknIpZ6yzBv8+sq2trCO3O2VFj31BX0D0/ZXAWunlJXg4uBA==","signature_status":"signed_v1","signed_at":"2026-07-05T11:54:55.789096Z","signed_message":"canonical_sha256_bytes"},"source_id":"2508.11860","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:265edb8bf441d589ebf64854eb19f37fcaa79c022b0d5d9d0aed3d239dec8934","sha256:92ba1313e6242b4026efa63bd96f76b9d6ddd826c972b8b577ec9e0d3c646f53"],"state_sha256":"978115bab16a8ae7948febec64158799394bb7d6c48ee5b2dd689dfa5d61a320"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ebAjzM+0R6uMxx2mnivKnTj+Gc3r6Sul6l3NnnPmJOyDch8yI7Ve2IDGI8R9ftHt2jouci6B3fNrQoI/pfmEDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-21T15:03:09.574727Z","bundle_sha256":"d50e0809febaf0db79b9e07c0136cc742eafd5565d67fc59930f4c140c23d261"}}