{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:VEYNN76RKV3CBSXRI47CNZG47U","short_pith_number":"pith:VEYNN76R","canonical_record":{"source":{"id":"2409.07462","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-08-27T14:51:11Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"959af2875a06fec30877d3707ccb4b313c7a46eab63b411054ee64d0d35bdf81","abstract_canon_sha256":"28117a9176e95a0ebc078128d4c527fd26ff4084250cc2702872b135f80f6cdd"},"schema_version":"1.0"},"canonical_sha256":"a930d6ffd1557620caf1473e26e4dcfd384bd99b2cfb5f0d75dda0926db157a0","source":{"kind":"arxiv","id":"2409.07462","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2409.07462","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"arxiv_version","alias_value":"2409.07462v2","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2409.07462","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_12","alias_value":"VEYNN76RKV3C","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_16","alias_value":"VEYNN76RKV3CBSXR","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_8","alias_value":"VEYNN76R","created_at":"2026-07-05T09:38:29Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:VEYNN76RKV3CBSXRI47CNZG47U","target":"record","payload":{"canonical_record":{"source":{"id":"2409.07462","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-08-27T14:51:11Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"959af2875a06fec30877d3707ccb4b313c7a46eab63b411054ee64d0d35bdf81","abstract_canon_sha256":"28117a9176e95a0ebc078128d4c527fd26ff4084250cc2702872b135f80f6cdd"},"schema_version":"1.0"},"canonical_sha256":"a930d6ffd1557620caf1473e26e4dcfd384bd99b2cfb5f0d75dda0926db157a0","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:38:29.395160Z","signature_b64":"LIaYobrspCvPGkcQNmOT2APw56jibFBiyAIzSCKU5cfVZFU89vc996oYjsCOc3sDNBWU30ZCytHB+KPQ1SqNAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a930d6ffd1557620caf1473e26e4dcfd384bd99b2cfb5f0d75dda0926db157a0","last_reissued_at":"2026-07-05T09:38:29.394761Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:38:29.394761Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2409.07462","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T09:38:29Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"gcvrAAQsR88hDEtURRsu52G6kPRS/vIMWyp5x31GE4JGWhBwIczZz2WrvdJs05gt0h1q8Iftp6qREQYQezLSAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-05T08:35:16.121683Z"},"content_sha256":"d0784fa1525f2545a2a78e9417827e8670b39d47480d1db626252e7a9afa3919","schema_version":"1.0","event_id":"sha256:d0784fa1525f2545a2a78e9417827e8670b39d47480d1db626252e7a9afa3919"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:VEYNN76RKV3CBSXRI47CNZG47U","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"q-bio.BM","authors_text":"Feng Yu, Gengmo Zhou, Guolin Ke, Zhen Wang, Zhewei Wei, Zhifeng Gao","submitted_at":"2024-08-27T14:51:11Z","abstract_excerpt":"Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information. Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2409.07462","kind":"arxiv","version":2},"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/2409.07462/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":"2026-07-05T09:38:29Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"K9OwZ3QzHi4lTA2i7k/jtGSiQuBCrKjTnolC4hfe+UrvObZUKJ7/j0PD9mGEpigdl3Li6r7r4cLQroQwVmivDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-05T08:35:16.130201Z"},"content_sha256":"d086339729a196d8cf96158792c509d0a23c8444028ed80e16fc74bb68dc09a5","schema_version":"1.0","event_id":"sha256:d086339729a196d8cf96158792c509d0a23c8444028ed80e16fc74bb68dc09a5"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VEYNN76RKV3CBSXRI47CNZG47U/bundle.json","state_url":"https://pith.science/pith/VEYNN76RKV3CBSXRI47CNZG47U/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VEYNN76RKV3CBSXRI47CNZG47U/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":"2026-08-05T08:35:16Z","links":{"resolver":"https://pith.science/pith/VEYNN76RKV3CBSXRI47CNZG47U","bundle":"https://pith.science/pith/VEYNN76RKV3CBSXRI47CNZG47U/bundle.json","state":"https://pith.science/pith/VEYNN76RKV3CBSXRI47CNZG47U/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VEYNN76RKV3CBSXRI47CNZG47U/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:VEYNN76RKV3CBSXRI47CNZG47U","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":"28117a9176e95a0ebc078128d4c527fd26ff4084250cc2702872b135f80f6cdd","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-08-27T14:51:11Z","title_canon_sha256":"959af2875a06fec30877d3707ccb4b313c7a46eab63b411054ee64d0d35bdf81"},"schema_version":"1.0","source":{"id":"2409.07462","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2409.07462","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"arxiv_version","alias_value":"2409.07462v2","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2409.07462","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_12","alias_value":"VEYNN76RKV3C","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_16","alias_value":"VEYNN76RKV3CBSXR","created_at":"2026-07-05T09:38:29Z"},{"alias_kind":"pith_short_8","alias_value":"VEYNN76R","created_at":"2026-07-05T09:38:29Z"}],"graph_snapshots":[{"event_id":"sha256:d086339729a196d8cf96158792c509d0a23c8444028ed80e16fc74bb68dc09a5","target":"graph","created_at":"2026-07-05T09:38:29Z","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/2409.07462/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information. Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise","authors_text":"Feng Yu, Gengmo Zhou, Guolin Ke, Zhen Wang, Zhewei Wei, Zhifeng Gao","cross_cats":["cs.LG"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-08-27T14:51:11Z","title":"S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2409.07462","kind":"arxiv","version":2},"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:d0784fa1525f2545a2a78e9417827e8670b39d47480d1db626252e7a9afa3919","target":"record","created_at":"2026-07-05T09:38:29Z","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":"28117a9176e95a0ebc078128d4c527fd26ff4084250cc2702872b135f80f6cdd","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-08-27T14:51:11Z","title_canon_sha256":"959af2875a06fec30877d3707ccb4b313c7a46eab63b411054ee64d0d35bdf81"},"schema_version":"1.0","source":{"id":"2409.07462","kind":"arxiv","version":2}},"canonical_sha256":"a930d6ffd1557620caf1473e26e4dcfd384bd99b2cfb5f0d75dda0926db157a0","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"a930d6ffd1557620caf1473e26e4dcfd384bd99b2cfb5f0d75dda0926db157a0","first_computed_at":"2026-07-05T09:38:29.394761Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:38:29.394761Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"LIaYobrspCvPGkcQNmOT2APw56jibFBiyAIzSCKU5cfVZFU89vc996oYjsCOc3sDNBWU30ZCytHB+KPQ1SqNAg==","signature_status":"signed_v1","signed_at":"2026-07-05T09:38:29.395160Z","signed_message":"canonical_sha256_bytes"},"source_id":"2409.07462","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d0784fa1525f2545a2a78e9417827e8670b39d47480d1db626252e7a9afa3919","sha256:d086339729a196d8cf96158792c509d0a23c8444028ed80e16fc74bb68dc09a5"],"state_sha256":"9526d9027f0d8f11b3691666233d55620895b37661b98d525e018d691c3fb74e"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"pOa3T0SRByZvfnY6aERVG/YfFg02Zk9maA2PlVT6V9EXa+4lEK6r9qM/bh2kHl4sPA/lXKBBxHjgOCn5zhAIDg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-05T08:35:16.172611Z","bundle_sha256":"2088f2b20ef6254a625938c50acfe75905b24c6d78dc42be91ffe1a934eee9d5"}}