{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:3REM4PJL2AAKX7Y6BPMIDEF3SG","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":"73a6c1356e521d92f529b3fc18c590b7f9bbc8cd757c991658d52cdcdf29f2e1","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-08T21:05:56Z","title_canon_sha256":"69e583e1ff83eedb4d47414e6bc736a6f230cb398bae68214463056c432a80c8"},"schema_version":"1.0","source":{"id":"1606.02759","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1606.02759","created_at":"2026-05-18T01:12:40Z"},{"alias_kind":"arxiv_version","alias_value":"1606.02759v1","created_at":"2026-05-18T01:12:40Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1606.02759","created_at":"2026-05-18T01:12:40Z"},{"alias_kind":"pith_short_12","alias_value":"3REM4PJL2AAK","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_16","alias_value":"3REM4PJL2AAKX7Y6","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_8","alias_value":"3REM4PJL","created_at":"2026-05-18T12:29:55Z"}],"graph_snapshots":[{"event_id":"sha256:36f18a652e8ff916729179736c4df8d5749744793991889f257c51c0af6c2f01","target":"graph","created_at":"2026-05-18T01:12:40Z","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 propose a multiple descriptor multiple kernel (MultiDK) method for efficient molecular discovery using machine learning. We show that the MultiDK method improves both the speed and the accuracy of molecular property prediction. We apply the method to the discovery of electrolyte molecules for aqueous redox flow batteries. Using \\emph{multiple-type - as opposed to single-type - descriptors}, more relevant features for machine learning can be obtained. Following the principle of the 'wisdom of the crowds', the combination of multiple-type descriptors significantly boosts prediction performanc","authors_text":"Adri\\'an Jinich, Al\\'an Aspuru-Guzik, Sung-Jin Kim","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-08T21:05:56Z","title":"MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to The Discovery of Organic Flow Battery Electrolytes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1606.02759","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":"sha256:0b57180c6609267e1ef3bb402f8f8dacb95ed407075b4f96cf556a3e862e536e","target":"record","created_at":"2026-05-18T01:12:40Z","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":"73a6c1356e521d92f529b3fc18c590b7f9bbc8cd757c991658d52cdcdf29f2e1","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-08T21:05:56Z","title_canon_sha256":"69e583e1ff83eedb4d47414e6bc736a6f230cb398bae68214463056c432a80c8"},"schema_version":"1.0","source":{"id":"1606.02759","kind":"arxiv","version":1}},"canonical_sha256":"dc48ce3d2bd000abff1e0bd88190bb918b7c5face5be9b4eb0acfb04270d9f0b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"dc48ce3d2bd000abff1e0bd88190bb918b7c5face5be9b4eb0acfb04270d9f0b","first_computed_at":"2026-05-18T01:12:40.081197Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:12:40.081197Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"NcZLOe9RdfxM0SyELXhdq9HI5XVLAsLUIoJKWWymws4LO1tCf8ULaH7Ci6nCK09hB4s1bM07MHLxA5suVgBRDA==","signature_status":"signed_v1","signed_at":"2026-05-18T01:12:40.081539Z","signed_message":"canonical_sha256_bytes"},"source_id":"1606.02759","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0b57180c6609267e1ef3bb402f8f8dacb95ed407075b4f96cf556a3e862e536e","sha256:36f18a652e8ff916729179736c4df8d5749744793991889f257c51c0af6c2f01"],"state_sha256":"b527e7ce2f893c12d894960b242d83e68d9ced0a497f98e1b55f6f64bfd6d901"}