{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:OPMRRDAVEZNSUP4IM3YVDCVKST","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":"c331aa449adbaa779b660038a8fb4d54d660cb14675641d1ba33d5f55a7f540c","cross_cats_sorted":["physics.chem-ph","quant-ph"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2024-11-26T20:13:56Z","title_canon_sha256":"aa20a2240573e66fd7ad78a79e4f7fff5def27ccc6a88ef5d87a3308598b4830"},"schema_version":"1.0","source":{"id":"2411.17856","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.17856","created_at":"2026-07-05T09:41:07Z"},{"alias_kind":"arxiv_version","alias_value":"2411.17856v1","created_at":"2026-07-05T09:41:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.17856","created_at":"2026-07-05T09:41:07Z"},{"alias_kind":"pith_short_12","alias_value":"OPMRRDAVEZNS","created_at":"2026-07-05T09:41:07Z"},{"alias_kind":"pith_short_16","alias_value":"OPMRRDAVEZNSUP4I","created_at":"2026-07-05T09:41:07Z"},{"alias_kind":"pith_short_8","alias_value":"OPMRRDAV","created_at":"2026-07-05T09:41:07Z"}],"graph_snapshots":[{"event_id":"sha256:ff3fecc0832e4dbfb26113610014b60b7a357301691ab6e7007b9c02e4851f08","target":"graph","created_at":"2026-07-05T09:41:07Z","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/2411.17856/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"A key step in interpreting gas-phase ion mobility coupled with mass spectrometry (IM-MS) data for unknown structure prediction involves identifying the most favorable protonated structure. In the gas phase, the site of protonation is determined using proton affinity (PA) measurements. Currently, mass spectrometry and ab initio computation methods are widely used to evaluate PA; however, both methods are resource-intensive and time-consuming. Therefore, there is a critical need for efficient methods to estimate PA, enabling the rapid identification of the most favorable protonation site in comp","authors_text":"Hongni Jin, Kenneth M. Merz Jr","cross_cats":["physics.chem-ph","quant-ph"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2024-11-26T20:13:56Z","title":"Integrating Machine Learning and Quantum Circuits for Proton Affinity Predictions"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.17856","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":"sha256:91c61279a08cd312cb4d59d2fbc5b873342848d497639990e6f09acf8486a2fe","target":"record","created_at":"2026-07-05T09:41:07Z","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":"c331aa449adbaa779b660038a8fb4d54d660cb14675641d1ba33d5f55a7f540c","cross_cats_sorted":["physics.chem-ph","quant-ph"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2024-11-26T20:13:56Z","title_canon_sha256":"aa20a2240573e66fd7ad78a79e4f7fff5def27ccc6a88ef5d87a3308598b4830"},"schema_version":"1.0","source":{"id":"2411.17856","kind":"arxiv","version":1}},"canonical_sha256":"73d9188c15265b2a3f8866f1518aaa94f76237b6a95ee8bcdec3439af3ac2dcf","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"73d9188c15265b2a3f8866f1518aaa94f76237b6a95ee8bcdec3439af3ac2dcf","first_computed_at":"2026-07-05T09:41:07.994839Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:41:07.994839Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"nqNKoQvG1mDKWy7xxBlulw4jX/dvJDgEd90CN8YGsxI2iMtCnXXcgMxha75EKPJwHGw2vCAzj+cca0dgAMZGAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T09:41:07.995258Z","signed_message":"canonical_sha256_bytes"},"source_id":"2411.17856","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:91c61279a08cd312cb4d59d2fbc5b873342848d497639990e6f09acf8486a2fe","sha256:ff3fecc0832e4dbfb26113610014b60b7a357301691ab6e7007b9c02e4851f08"],"state_sha256":"65b2b8d166a425d515413ba378832227186350b623f7312fbff6d40a07f64d90"}