{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:OZZRO5AUEFGI75INHP2S7Z6I5D","short_pith_number":"pith:OZZRO5AU","canonical_record":{"source":{"id":"1703.10927","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.QM","submitted_at":"2017-03-31T15:00:07Z","cross_cats_sorted":["cs.LG","physics.chem-ph"],"title_canon_sha256":"2d884b488aa6a3944c61d6743b9476ca2f372ff63d5cbbc327021eafd9c3a83e","abstract_canon_sha256":"63232d6742fe28a0392b97033cb4fe6d394f397e7f50d689d98dffd191de91bd"},"schema_version":"1.0"},"canonical_sha256":"7673177414214c8ff50d3bf52fe7c8e8fe5a288d82837fdf8f8e8beec176537b","source":{"kind":"arxiv","id":"1703.10927","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1703.10927","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"arxiv_version","alias_value":"1703.10927v1","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1703.10927","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"pith_short_12","alias_value":"OZZRO5AUEFGI","created_at":"2026-05-18T12:31:37Z"},{"alias_kind":"pith_short_16","alias_value":"OZZRO5AUEFGI75IN","created_at":"2026-05-18T12:31:37Z"},{"alias_kind":"pith_short_8","alias_value":"OZZRO5AU","created_at":"2026-05-18T12:31:37Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:OZZRO5AUEFGI75INHP2S7Z6I5D","target":"record","payload":{"canonical_record":{"source":{"id":"1703.10927","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.QM","submitted_at":"2017-03-31T15:00:07Z","cross_cats_sorted":["cs.LG","physics.chem-ph"],"title_canon_sha256":"2d884b488aa6a3944c61d6743b9476ca2f372ff63d5cbbc327021eafd9c3a83e","abstract_canon_sha256":"63232d6742fe28a0392b97033cb4fe6d394f397e7f50d689d98dffd191de91bd"},"schema_version":"1.0"},"canonical_sha256":"7673177414214c8ff50d3bf52fe7c8e8fe5a288d82837fdf8f8e8beec176537b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:47:32.283696Z","signature_b64":"wfwGl0IEJhJIezk1XLbEcyRX96R0zcQoMJgXkBMNmR8IF+r7w95Xeso/qrkOpboji1DcJ6fPWdSiu72CnVU3Aw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7673177414214c8ff50d3bf52fe7c8e8fe5a288d82837fdf8f8e8beec176537b","last_reissued_at":"2026-05-18T00:47:32.283133Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:47:32.283133Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1703.10927","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":"2026-05-18T00:47:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"839hO0/SKVpjO8DkZOJBwoVDj8sRAq5DnZ8BW9FV04VIADFOVrO6mO9qctgeIcUoPuPdm+gAlCvckqFsekkIBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T23:22:58.677973Z"},"content_sha256":"a2483aef9419bc3fe45d72ddac0e1379187f8feded5745271ba552ca3fe4ea69","schema_version":"1.0","event_id":"sha256:a2483aef9419bc3fe45d72ddac0e1379187f8feded5745271ba552ca3fe4ea69"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:OZZRO5AUEFGI75INHP2S7Z6I5D","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Feature functional theory - binding predictor (FFT-BP) for the blind prediction of binding free energies","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.LG","physics.chem-ph"],"primary_cat":"q-bio.QM","authors_text":"Bao Wang, Duc D. Nguyen, Guo-Wei Wei, Zhixiong Zhao","submitted_at":"2017-03-31T15:00:07Z","abstract_excerpt":"We present a feature functional theory - binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) representability: there exists a microscopic feature vector that can uniquely characterize and distinguish one protein-ligand complex from another; ii) feature-function relationship: the macroscopic features, including binding free energy, of a complex is a functional of microscopic feature vectors; and iii) similarity: molecules with similar microscopic features have similar macroscopic features, such as binding affin"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.10927","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":""},"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":"2026-05-18T00:47:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EHYgIhlvDmp6tRhlwuiNx3yBaN0CjlATM07qGJv7ol/8G74chX6ctdAxb5c8qQ9e3H52x1Iijt/GV71FTDbJCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T23:22:58.678595Z"},"content_sha256":"92d0561c44ac0292d5a1b43355b4abba6a5e0e69573fe1be65199e691cc85893","schema_version":"1.0","event_id":"sha256:92d0561c44ac0292d5a1b43355b4abba6a5e0e69573fe1be65199e691cc85893"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/bundle.json","state_url":"https://pith.science/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/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":"2026-05-27T23:22:58Z","links":{"resolver":"https://pith.science/pith/OZZRO5AUEFGI75INHP2S7Z6I5D","bundle":"https://pith.science/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/bundle.json","state":"https://pith.science/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/state.json","well_known_bundle":"https://pith.science/.well-known/pith/OZZRO5AUEFGI75INHP2S7Z6I5D/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:OZZRO5AUEFGI75INHP2S7Z6I5D","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":"63232d6742fe28a0392b97033cb4fe6d394f397e7f50d689d98dffd191de91bd","cross_cats_sorted":["cs.LG","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.QM","submitted_at":"2017-03-31T15:00:07Z","title_canon_sha256":"2d884b488aa6a3944c61d6743b9476ca2f372ff63d5cbbc327021eafd9c3a83e"},"schema_version":"1.0","source":{"id":"1703.10927","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1703.10927","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"arxiv_version","alias_value":"1703.10927v1","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1703.10927","created_at":"2026-05-18T00:47:32Z"},{"alias_kind":"pith_short_12","alias_value":"OZZRO5AUEFGI","created_at":"2026-05-18T12:31:37Z"},{"alias_kind":"pith_short_16","alias_value":"OZZRO5AUEFGI75IN","created_at":"2026-05-18T12:31:37Z"},{"alias_kind":"pith_short_8","alias_value":"OZZRO5AU","created_at":"2026-05-18T12:31:37Z"}],"graph_snapshots":[{"event_id":"sha256:92d0561c44ac0292d5a1b43355b4abba6a5e0e69573fe1be65199e691cc85893","target":"graph","created_at":"2026-05-18T00:47:32Z","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"},"paper":{"abstract_excerpt":"We present a feature functional theory - binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) representability: there exists a microscopic feature vector that can uniquely characterize and distinguish one protein-ligand complex from another; ii) feature-function relationship: the macroscopic features, including binding free energy, of a complex is a functional of microscopic feature vectors; and iii) similarity: molecules with similar microscopic features have similar macroscopic features, such as binding affin","authors_text":"Bao Wang, Duc D. Nguyen, Guo-Wei Wei, Zhixiong Zhao","cross_cats":["cs.LG","physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.QM","submitted_at":"2017-03-31T15:00:07Z","title":"Feature functional theory - binding predictor (FFT-BP) for the blind prediction of binding free energies"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.10927","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:a2483aef9419bc3fe45d72ddac0e1379187f8feded5745271ba552ca3fe4ea69","target":"record","created_at":"2026-05-18T00:47:32Z","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":"63232d6742fe28a0392b97033cb4fe6d394f397e7f50d689d98dffd191de91bd","cross_cats_sorted":["cs.LG","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.QM","submitted_at":"2017-03-31T15:00:07Z","title_canon_sha256":"2d884b488aa6a3944c61d6743b9476ca2f372ff63d5cbbc327021eafd9c3a83e"},"schema_version":"1.0","source":{"id":"1703.10927","kind":"arxiv","version":1}},"canonical_sha256":"7673177414214c8ff50d3bf52fe7c8e8fe5a288d82837fdf8f8e8beec176537b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7673177414214c8ff50d3bf52fe7c8e8fe5a288d82837fdf8f8e8beec176537b","first_computed_at":"2026-05-18T00:47:32.283133Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:47:32.283133Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"wfwGl0IEJhJIezk1XLbEcyRX96R0zcQoMJgXkBMNmR8IF+r7w95Xeso/qrkOpboji1DcJ6fPWdSiu72CnVU3Aw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:47:32.283696Z","signed_message":"canonical_sha256_bytes"},"source_id":"1703.10927","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a2483aef9419bc3fe45d72ddac0e1379187f8feded5745271ba552ca3fe4ea69","sha256:92d0561c44ac0292d5a1b43355b4abba6a5e0e69573fe1be65199e691cc85893"],"state_sha256":"7a0c7001dc35f689fa17479b3cc6c63d908798ebf19c04c83de6d834101529e8"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"fw41wtXKak4GqTlM2xfX2f2CyH9DU4bi3DyIsvV3wdaaZeqmu099HJas5zHiHfvXQMdlbcpr7silNxBXsSzSBQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T23:22:58.681413Z","bundle_sha256":"b4991791d40b91bd2abe589c9f8521791299c7638d4f39254d800d8b71f41ba2"}}