{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:EYQSAQ7G6TZHKAP5PLAIK6XSBA","short_pith_number":"pith:EYQSAQ7G","canonical_record":{"source":{"id":"2411.19503","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-29T06:46:32Z","cross_cats_sorted":[],"title_canon_sha256":"8cb8e974e1d67c84fdc90248c225e30d0bef9cdffde45af9f9c110e2dbc09459","abstract_canon_sha256":"721f0194ea11e2f7d66a2aa32707f3bcc5a6f02b396a0c436639101b7f13c723"},"schema_version":"1.0"},"canonical_sha256":"26212043e6f4f27501fd7ac0857af2083c78d183488dfa5cd7603a935f9d3301","source":{"kind":"arxiv","id":"2411.19503","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.19503","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"arxiv_version","alias_value":"2411.19503v1","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.19503","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_12","alias_value":"EYQSAQ7G6TZH","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_16","alias_value":"EYQSAQ7G6TZHKAP5","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_8","alias_value":"EYQSAQ7G","created_at":"2026-07-05T09:42:03Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:EYQSAQ7G6TZHKAP5PLAIK6XSBA","target":"record","payload":{"canonical_record":{"source":{"id":"2411.19503","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-29T06:46:32Z","cross_cats_sorted":[],"title_canon_sha256":"8cb8e974e1d67c84fdc90248c225e30d0bef9cdffde45af9f9c110e2dbc09459","abstract_canon_sha256":"721f0194ea11e2f7d66a2aa32707f3bcc5a6f02b396a0c436639101b7f13c723"},"schema_version":"1.0"},"canonical_sha256":"26212043e6f4f27501fd7ac0857af2083c78d183488dfa5cd7603a935f9d3301","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:42:03.385603Z","signature_b64":"hNTQHgGcBFn32Uec+HHonBbSQ953VxqNrUF1tEllswcFpNjEKM3aR6JS3iEX0ts6sr2E1gfRTlJxfJPZ6byWAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"26212043e6f4f27501fd7ac0857af2083c78d183488dfa5cd7603a935f9d3301","last_reissued_at":"2026-07-05T09:42:03.385162Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:42:03.385162Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2411.19503","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":"2026-07-05T09:42:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BAawfEv8EHYZP+ukDogFBP0gs6D7twrecWkrhdk21WZ7gmPAzwpAQHcUBtaRfO5Ww4JjzOJcIbjw810brq05CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-15T04:11:21.644757Z"},"content_sha256":"48b4a7b138f39ff3954d087aaf259eab49d4d2ef511d04f2c20d73c9a2253dbd","schema_version":"1.0","event_id":"sha256:48b4a7b138f39ff3954d087aaf259eab49d4d2ef511d04f2c20d73c9a2253dbd"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:EYQSAQ7G6TZHKAP5PLAIK6XSBA","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Hierarchical Framework for Retrosynthesis Prediction with Enhanced Reaction Center Localization","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Seongeun Yun, Won Bo Lee","submitted_at":"2024-11-29T06:46:32Z","abstract_excerpt":"Retrosynthesis is essential for designing synthetic pathways for complex molecules and can be revolutionized by AI to automate and accelerate chemical synthesis planning for drug discovery and materials science. Here, we propose a hierarchical framework for retrosynthesis prediction that systematically integrates reaction center identification, action prediction, and termination decision into a unified pipeline. Leveraging a molecular encoder pretrained with contrastive learning, the model captures both atom and bond level representations, enabling accurate identification of reaction centers a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.19503","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/2411.19503/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":"2026-07-05T09:42:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6hRTHgXjw3R8W9BlUMTddkQp9MhMOxpY1z4s20m3Km1V8tl/gu2lfKi1bFlVj5wQhnXKRvwySLKtjsLFcJlLAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-15T04:11:21.645337Z"},"content_sha256":"39c4ced3c218c570dc89fe3df7bdfe623d676e503d2c38b2857f8eb1c0ba81f6","schema_version":"1.0","event_id":"sha256:39c4ced3c218c570dc89fe3df7bdfe623d676e503d2c38b2857f8eb1c0ba81f6"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/bundle.json","state_url":"https://pith.science/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/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":"2026-08-15T04:11:21Z","links":{"resolver":"https://pith.science/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA","bundle":"https://pith.science/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/bundle.json","state":"https://pith.science/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/state.json","well_known_bundle":"https://pith.science/.well-known/pith/EYQSAQ7G6TZHKAP5PLAIK6XSBA/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:EYQSAQ7G6TZHKAP5PLAIK6XSBA","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":"721f0194ea11e2f7d66a2aa32707f3bcc5a6f02b396a0c436639101b7f13c723","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-29T06:46:32Z","title_canon_sha256":"8cb8e974e1d67c84fdc90248c225e30d0bef9cdffde45af9f9c110e2dbc09459"},"schema_version":"1.0","source":{"id":"2411.19503","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.19503","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"arxiv_version","alias_value":"2411.19503v1","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.19503","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_12","alias_value":"EYQSAQ7G6TZH","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_16","alias_value":"EYQSAQ7G6TZHKAP5","created_at":"2026-07-05T09:42:03Z"},{"alias_kind":"pith_short_8","alias_value":"EYQSAQ7G","created_at":"2026-07-05T09:42:03Z"}],"graph_snapshots":[{"event_id":"sha256:39c4ced3c218c570dc89fe3df7bdfe623d676e503d2c38b2857f8eb1c0ba81f6","target":"graph","created_at":"2026-07-05T09:42:03Z","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/2411.19503/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Retrosynthesis is essential for designing synthetic pathways for complex molecules and can be revolutionized by AI to automate and accelerate chemical synthesis planning for drug discovery and materials science. Here, we propose a hierarchical framework for retrosynthesis prediction that systematically integrates reaction center identification, action prediction, and termination decision into a unified pipeline. Leveraging a molecular encoder pretrained with contrastive learning, the model captures both atom and bond level representations, enabling accurate identification of reaction centers a","authors_text":"Seongeun Yun, Won Bo Lee","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-29T06:46:32Z","title":"Hierarchical Framework for Retrosynthesis Prediction with Enhanced Reaction Center Localization"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.19503","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":"sha256:48b4a7b138f39ff3954d087aaf259eab49d4d2ef511d04f2c20d73c9a2253dbd","target":"record","created_at":"2026-07-05T09:42:03Z","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":"721f0194ea11e2f7d66a2aa32707f3bcc5a6f02b396a0c436639101b7f13c723","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-29T06:46:32Z","title_canon_sha256":"8cb8e974e1d67c84fdc90248c225e30d0bef9cdffde45af9f9c110e2dbc09459"},"schema_version":"1.0","source":{"id":"2411.19503","kind":"arxiv","version":1}},"canonical_sha256":"26212043e6f4f27501fd7ac0857af2083c78d183488dfa5cd7603a935f9d3301","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"26212043e6f4f27501fd7ac0857af2083c78d183488dfa5cd7603a935f9d3301","first_computed_at":"2026-07-05T09:42:03.385162Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:42:03.385162Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"hNTQHgGcBFn32Uec+HHonBbSQ953VxqNrUF1tEllswcFpNjEKM3aR6JS3iEX0ts6sr2E1gfRTlJxfJPZ6byWAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T09:42:03.385603Z","signed_message":"canonical_sha256_bytes"},"source_id":"2411.19503","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:48b4a7b138f39ff3954d087aaf259eab49d4d2ef511d04f2c20d73c9a2253dbd","sha256:39c4ced3c218c570dc89fe3df7bdfe623d676e503d2c38b2857f8eb1c0ba81f6"],"state_sha256":"e56ba6933b63fa532e4e8eaffc2e65340309fb1f0295af826597d74d1b5fbccc"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"loOaNTMIweXU8+HBbNLQifmJ9LfI/vWrpAs3gq6FNzx7Sw1HWZMiSvqLJJQ+u1BYPmxobPjF4dNiBzXc2pVVAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-15T04:11:21.648958Z","bundle_sha256":"f8a093ab7e8240f5c493d080160bf0b856fd356e0da20125610e92069c21f1da"}}