{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:IOHAXOHPMCJNNAOQVUI472WADR","short_pith_number":"pith:IOHAXOHP","canonical_record":{"source":{"id":"2405.14536","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.MN","submitted_at":"2024-05-23T13:22:17Z","cross_cats_sorted":["cs.AI","cs.LG"],"title_canon_sha256":"adc1eeb62ce1909eea8e35c3f920a8d6307d08dc821f868452d2677573e7d962","abstract_canon_sha256":"af520fc85c18a75e97e5b27592b457a775322a45baff3e82721da6dd0246fdf7"},"schema_version":"1.0"},"canonical_sha256":"438e0bb8ef6092d681d0ad11cfeac01c735fd4657f3f9a193601e9be4b20e291","source":{"kind":"arxiv","id":"2405.14536","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.14536","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"arxiv_version","alias_value":"2405.14536v1","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.14536","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_12","alias_value":"IOHAXOHPMCJN","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_16","alias_value":"IOHAXOHPMCJNNAOQ","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_8","alias_value":"IOHAXOHP","created_at":"2026-07-05T08:22:24Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:IOHAXOHPMCJNNAOQVUI472WADR","target":"record","payload":{"canonical_record":{"source":{"id":"2405.14536","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.MN","submitted_at":"2024-05-23T13:22:17Z","cross_cats_sorted":["cs.AI","cs.LG"],"title_canon_sha256":"adc1eeb62ce1909eea8e35c3f920a8d6307d08dc821f868452d2677573e7d962","abstract_canon_sha256":"af520fc85c18a75e97e5b27592b457a775322a45baff3e82721da6dd0246fdf7"},"schema_version":"1.0"},"canonical_sha256":"438e0bb8ef6092d681d0ad11cfeac01c735fd4657f3f9a193601e9be4b20e291","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:22:24.908483Z","signature_b64":"JXfyA5KDrzjsCwXBBo96AjyMNtI4BIVHN4lHkIEVBk0M8bsIk80tJBup6Uj00LGwbJT2uXYM2bsRShVKcK9MDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"438e0bb8ef6092d681d0ad11cfeac01c735fd4657f3f9a193601e9be4b20e291","last_reissued_at":"2026-07-05T08:22:24.908005Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:22:24.908005Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2405.14536","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":"2026-07-05T08:22:24Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"sKOOsnCY4JvSEA41fYpw0EwrmdtDL1iC1PpStyjSwlVzGCP3nHFwEU5yZbR3vaTHH2FR97kYYAi3twVHkXfcCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-11T22:12:33.991131Z"},"content_sha256":"0b41ff39216db1b91ec445f51db7252f623307d2d70e4aa8c922226f9e07f59e","schema_version":"1.0","event_id":"sha256:0b41ff39216db1b91ec445f51db7252f623307d2d70e4aa8c922226f9e07f59e"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:IOHAXOHPMCJNNAOQVUI472WADR","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Regressor-free Molecule Generation to Support Drug Response Prediction","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":["cs.AI","cs.LG"],"primary_cat":"q-bio.MN","authors_text":"Bo Du, Jia Wu, Kun Li, Shirui Pan, Wenbin Hu, Xiuwen Gong","submitted_at":"2024-05-23T13:22:17Z","abstract_excerpt":"Drug response prediction (DRP) is a crucial phase in drug discovery, and the most important metric for its evaluation is the IC50 score. DRP results are heavily dependent on the quality of the generated molecules. Existing molecule generation methods typically employ classifier-based guidance, enabling sampling within the IC50 classification range. However, these methods fail to ensure the sampling space range's effectiveness, generating numerous ineffective molecules. Through experimental and theoretical study, we hypothesize that conditional generation based on the target IC50 score can obta"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.14536","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/2405.14536/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":"2026-07-05T08:22:24Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"QzXiLDYzoTiEPmBDYOc2RCfrj0jg2Cqb21ZbAJvWbw0usf4rAEVPmLrRuPbbfwkDqedluEaiRlefVy8rcg7jAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-11T22:12:33.991797Z"},"content_sha256":"86cbf1f527cfa834acdfdfb690cf3e8c4830c6c5a8007e4e0e68b6eb9215b8a2","schema_version":"1.0","event_id":"sha256:86cbf1f527cfa834acdfdfb690cf3e8c4830c6c5a8007e4e0e68b6eb9215b8a2"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/IOHAXOHPMCJNNAOQVUI472WADR/bundle.json","state_url":"https://pith.science/pith/IOHAXOHPMCJNNAOQVUI472WADR/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/IOHAXOHPMCJNNAOQVUI472WADR/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":"2026-08-11T22:12:33Z","links":{"resolver":"https://pith.science/pith/IOHAXOHPMCJNNAOQVUI472WADR","bundle":"https://pith.science/pith/IOHAXOHPMCJNNAOQVUI472WADR/bundle.json","state":"https://pith.science/pith/IOHAXOHPMCJNNAOQVUI472WADR/state.json","well_known_bundle":"https://pith.science/.well-known/pith/IOHAXOHPMCJNNAOQVUI472WADR/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:IOHAXOHPMCJNNAOQVUI472WADR","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":"af520fc85c18a75e97e5b27592b457a775322a45baff3e82721da6dd0246fdf7","cross_cats_sorted":["cs.AI","cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.MN","submitted_at":"2024-05-23T13:22:17Z","title_canon_sha256":"adc1eeb62ce1909eea8e35c3f920a8d6307d08dc821f868452d2677573e7d962"},"schema_version":"1.0","source":{"id":"2405.14536","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.14536","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"arxiv_version","alias_value":"2405.14536v1","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.14536","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_12","alias_value":"IOHAXOHPMCJN","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_16","alias_value":"IOHAXOHPMCJNNAOQ","created_at":"2026-07-05T08:22:24Z"},{"alias_kind":"pith_short_8","alias_value":"IOHAXOHP","created_at":"2026-07-05T08:22:24Z"}],"graph_snapshots":[{"event_id":"sha256:86cbf1f527cfa834acdfdfb690cf3e8c4830c6c5a8007e4e0e68b6eb9215b8a2","target":"graph","created_at":"2026-07-05T08:22:24Z","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/2405.14536/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Drug response prediction (DRP) is a crucial phase in drug discovery, and the most important metric for its evaluation is the IC50 score. DRP results are heavily dependent on the quality of the generated molecules. Existing molecule generation methods typically employ classifier-based guidance, enabling sampling within the IC50 classification range. However, these methods fail to ensure the sampling space range's effectiveness, generating numerous ineffective molecules. Through experimental and theoretical study, we hypothesize that conditional generation based on the target IC50 score can obta","authors_text":"Bo Du, Jia Wu, Kun Li, Shirui Pan, Wenbin Hu, Xiuwen Gong","cross_cats":["cs.AI","cs.LG"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.MN","submitted_at":"2024-05-23T13:22:17Z","title":"Regressor-free Molecule Generation to Support Drug Response Prediction"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.14536","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":"sha256:0b41ff39216db1b91ec445f51db7252f623307d2d70e4aa8c922226f9e07f59e","target":"record","created_at":"2026-07-05T08:22:24Z","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":"af520fc85c18a75e97e5b27592b457a775322a45baff3e82721da6dd0246fdf7","cross_cats_sorted":["cs.AI","cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.MN","submitted_at":"2024-05-23T13:22:17Z","title_canon_sha256":"adc1eeb62ce1909eea8e35c3f920a8d6307d08dc821f868452d2677573e7d962"},"schema_version":"1.0","source":{"id":"2405.14536","kind":"arxiv","version":1}},"canonical_sha256":"438e0bb8ef6092d681d0ad11cfeac01c735fd4657f3f9a193601e9be4b20e291","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"438e0bb8ef6092d681d0ad11cfeac01c735fd4657f3f9a193601e9be4b20e291","first_computed_at":"2026-07-05T08:22:24.908005Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:22:24.908005Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"JXfyA5KDrzjsCwXBBo96AjyMNtI4BIVHN4lHkIEVBk0M8bsIk80tJBup6Uj00LGwbJT2uXYM2bsRShVKcK9MDA==","signature_status":"signed_v1","signed_at":"2026-07-05T08:22:24.908483Z","signed_message":"canonical_sha256_bytes"},"source_id":"2405.14536","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0b41ff39216db1b91ec445f51db7252f623307d2d70e4aa8c922226f9e07f59e","sha256:86cbf1f527cfa834acdfdfb690cf3e8c4830c6c5a8007e4e0e68b6eb9215b8a2"],"state_sha256":"df245b30ba2ef4ee55342a365d54911fedb6eaa352d5d54e631c38a730ecbfa8"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0WBc4j55VmVtqnEUZg6LjGxI1RcbSdU5ToTtizWUZe4fNUEtH0EQ4Acm/OiUJ6L9cIbzcaQf6i91YIo7xKeeAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-11T22:12:33.998202Z","bundle_sha256":"9da40d470360bc69beef2f9896791660bebfd48ec35caf92b214b4e8d65514e7"}}