{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:F6BJJP3DXYLMBRUSH3NI2SQZDF","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":"938c79ed81c84902bcc2cf007d4a05e759ae205a9b881e431babcc9c769e6593","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2023-10-02T01:30:42Z","title_canon_sha256":"7f2c07d97377a73c584eeee28dfe1360a908075230d48c5f0e4bf8210fa0345e"},"schema_version":"1.0","source":{"id":"2310.00841","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2310.00841","created_at":"2026-07-05T08:24:57Z"},{"alias_kind":"arxiv_version","alias_value":"2310.00841v3","created_at":"2026-07-05T08:24:57Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2310.00841","created_at":"2026-07-05T08:24:57Z"},{"alias_kind":"pith_short_12","alias_value":"F6BJJP3DXYLM","created_at":"2026-07-05T08:24:57Z"},{"alias_kind":"pith_short_16","alias_value":"F6BJJP3DXYLMBRUS","created_at":"2026-07-05T08:24:57Z"},{"alias_kind":"pith_short_8","alias_value":"F6BJJP3D","created_at":"2026-07-05T08:24:57Z"}],"graph_snapshots":[{"event_id":"sha256:b8189977f88dec7ae1f738cde249b24eede448300343051651ea6522e69e9c18","target":"graph","created_at":"2026-07-05T08:24:57Z","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/2310.00841/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Fragment-based drug discovery is an effective strategy for discovering drug candidates in the vast chemical space, and has been widely employed in molecular generative models. However, many existing fragment extraction methods in such models do not take the target chemical properties into account or rely on heuristic rules. Additionally, the existing fragment-based generative models cannot update the fragment vocabulary with goal-aware fragments newly discovered during the generation. To this end, we propose a molecular generative framework for drug discovery, named Goal-aware fragment Extract","authors_text":"Kenji Kawaguchi, Seanie Lee, Seul Lee, Sung Ju Hwang","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2023-10-02T01:30:42Z","title":"Drug Discovery with Dynamic Goal-aware Fragments"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2310.00841","kind":"arxiv","version":3},"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":"sha256:29b351e98d32124bf236ca3a7935712a5d852aa9ba901b917e7abf303e8dfa2d","target":"record","created_at":"2026-07-05T08:24:57Z","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":"938c79ed81c84902bcc2cf007d4a05e759ae205a9b881e431babcc9c769e6593","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2023-10-02T01:30:42Z","title_canon_sha256":"7f2c07d97377a73c584eeee28dfe1360a908075230d48c5f0e4bf8210fa0345e"},"schema_version":"1.0","source":{"id":"2310.00841","kind":"arxiv","version":3}},"canonical_sha256":"2f8294bf63be16c0c6923eda8d4a191949a75de6fd042b9b51552b3c2c67efcc","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"2f8294bf63be16c0c6923eda8d4a191949a75de6fd042b9b51552b3c2c67efcc","first_computed_at":"2026-07-05T08:24:57.526329Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:24:57.526329Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+DBJ+GqIR373BXB7Culs/KSFW+E0xOLd+Ni8a07CFCmiMaRq81iXc/Q5SQd6I/8KRUb7VusA6/xW3hlsMsp8Dg==","signature_status":"signed_v1","signed_at":"2026-07-05T08:24:57.526891Z","signed_message":"canonical_sha256_bytes"},"source_id":"2310.00841","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:29b351e98d32124bf236ca3a7935712a5d852aa9ba901b917e7abf303e8dfa2d","sha256:b8189977f88dec7ae1f738cde249b24eede448300343051651ea6522e69e9c18"],"state_sha256":"27e0df1f0188eed2d48baa42e2d9317f086714ee6443a40b8d8aa6f62055c84a"}