{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:BF5KLZOB3NDNURXFPEA4WP4WTZ","short_pith_number":"pith:BF5KLZOB","canonical_record":{"source":{"id":"1804.02668","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-04-08T11:08:08Z","cross_cats_sorted":["stat.ML"],"title_canon_sha256":"4cce6e62e580e74f7d41db8996bf4e2235279c93c16c211405e68e0684b7a4d0","abstract_canon_sha256":"f7e52104ce3368cdd07f37459412ee047c72b042aa6db42aaff486cae6afda22"},"schema_version":"1.0"},"canonical_sha256":"097aa5e5c1db46da46e57901cb3f969e429e290a8408d7fd6835e330f891929b","source":{"kind":"arxiv","id":"1804.02668","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1804.02668","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"arxiv_version","alias_value":"1804.02668v1","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1804.02668","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"pith_short_12","alias_value":"BF5KLZOB3NDN","created_at":"2026-05-18T12:32:16Z"},{"alias_kind":"pith_short_16","alias_value":"BF5KLZOB3NDNURXF","created_at":"2026-05-18T12:32:16Z"},{"alias_kind":"pith_short_8","alias_value":"BF5KLZOB","created_at":"2026-05-18T12:32:16Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:BF5KLZOB3NDNURXFPEA4WP4WTZ","target":"record","payload":{"canonical_record":{"source":{"id":"1804.02668","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-04-08T11:08:08Z","cross_cats_sorted":["stat.ML"],"title_canon_sha256":"4cce6e62e580e74f7d41db8996bf4e2235279c93c16c211405e68e0684b7a4d0","abstract_canon_sha256":"f7e52104ce3368cdd07f37459412ee047c72b042aa6db42aaff486cae6afda22"},"schema_version":"1.0"},"canonical_sha256":"097aa5e5c1db46da46e57901cb3f969e429e290a8408d7fd6835e330f891929b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:08:31.072401Z","signature_b64":"lPJ11E4LC3OoanIPnIpMu4Nj5tU3y1yv+xnoO38YnuiEySC0MyT1ghmp3tHhuQmmOP/0LyEzjen86/GfNvvOCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"097aa5e5c1db46da46e57901cb3f969e429e290a8408d7fd6835e330f891929b","last_reissued_at":"2026-05-18T00:08:31.071898Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:08:31.071898Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1804.02668","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":"2026-05-18T00:08:31Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"b3QWjNi7yd3f3TpdMqxuauMBNLtn4UR0Nqcd7lUXsyDxbqS3igRKh692I3lLrpqlXb2v7FQsbS2Dz5P9y9u7AQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T20:42:48.271111Z"},"content_sha256":"95bea40b03cde8e3b2b414e09ac607022be684f71057e81a147ea7fee3bc975f","schema_version":"1.0","event_id":"sha256:95bea40b03cde8e3b2b414e09ac607022be684f71057e81a147ea7fee3bc975f"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:BF5KLZOB3NDNURXFPEA4WP4WTZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Accelerating Prototype-Based Drug Discovery using Conditional Diversity Networks","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["stat.ML"],"primary_cat":"cs.LG","authors_text":"Kira Radinsky, Shahar Harel","submitted_at":"2018-04-08T11:08:08Z","abstract_excerpt":"Designing a new drug is a lengthy and expensive process. As the space of potential molecules is very large (10^23-10^60), a common technique during drug discovery is to start from a molecule which already has some of the desired properties. An interdisciplinary team of scientists generates hypothesis about the required changes to the prototype. In this work, we develop an algorithmic unsupervised-approach that automatically generates potential drug molecules given a prototype drug. We show that the molecules generated by the system are valid molecules and significantly different from the proto"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.02668","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":"2026-05-18T00:08:31Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Kkexyk8+BarSMHeyKsRMPkl+3XV9ECN3CMpNBePeRnVDf0N568Q9fV2BpKPOKeevqgjXXof6qdCrrEFsHnmVCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T20:42:48.271572Z"},"content_sha256":"8015b76067bbd00c8554bd26590dbb24e4cfb5488151659174ec9ef1bce63f48","schema_version":"1.0","event_id":"sha256:8015b76067bbd00c8554bd26590dbb24e4cfb5488151659174ec9ef1bce63f48"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/bundle.json","state_url":"https://pith.science/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/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":"2026-06-01T20:42:48Z","links":{"resolver":"https://pith.science/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ","bundle":"https://pith.science/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/bundle.json","state":"https://pith.science/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/BF5KLZOB3NDNURXFPEA4WP4WTZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:BF5KLZOB3NDNURXFPEA4WP4WTZ","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":"f7e52104ce3368cdd07f37459412ee047c72b042aa6db42aaff486cae6afda22","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-04-08T11:08:08Z","title_canon_sha256":"4cce6e62e580e74f7d41db8996bf4e2235279c93c16c211405e68e0684b7a4d0"},"schema_version":"1.0","source":{"id":"1804.02668","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1804.02668","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"arxiv_version","alias_value":"1804.02668v1","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1804.02668","created_at":"2026-05-18T00:08:31Z"},{"alias_kind":"pith_short_12","alias_value":"BF5KLZOB3NDN","created_at":"2026-05-18T12:32:16Z"},{"alias_kind":"pith_short_16","alias_value":"BF5KLZOB3NDNURXF","created_at":"2026-05-18T12:32:16Z"},{"alias_kind":"pith_short_8","alias_value":"BF5KLZOB","created_at":"2026-05-18T12:32:16Z"}],"graph_snapshots":[{"event_id":"sha256:8015b76067bbd00c8554bd26590dbb24e4cfb5488151659174ec9ef1bce63f48","target":"graph","created_at":"2026-05-18T00:08:31Z","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":"Designing a new drug is a lengthy and expensive process. As the space of potential molecules is very large (10^23-10^60), a common technique during drug discovery is to start from a molecule which already has some of the desired properties. An interdisciplinary team of scientists generates hypothesis about the required changes to the prototype. In this work, we develop an algorithmic unsupervised-approach that automatically generates potential drug molecules given a prototype drug. We show that the molecules generated by the system are valid molecules and significantly different from the proto","authors_text":"Kira Radinsky, Shahar Harel","cross_cats":["stat.ML"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-04-08T11:08:08Z","title":"Accelerating Prototype-Based Drug Discovery using Conditional Diversity Networks"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.02668","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":"sha256:95bea40b03cde8e3b2b414e09ac607022be684f71057e81a147ea7fee3bc975f","target":"record","created_at":"2026-05-18T00:08:31Z","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":"f7e52104ce3368cdd07f37459412ee047c72b042aa6db42aaff486cae6afda22","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-04-08T11:08:08Z","title_canon_sha256":"4cce6e62e580e74f7d41db8996bf4e2235279c93c16c211405e68e0684b7a4d0"},"schema_version":"1.0","source":{"id":"1804.02668","kind":"arxiv","version":1}},"canonical_sha256":"097aa5e5c1db46da46e57901cb3f969e429e290a8408d7fd6835e330f891929b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"097aa5e5c1db46da46e57901cb3f969e429e290a8408d7fd6835e330f891929b","first_computed_at":"2026-05-18T00:08:31.071898Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:08:31.071898Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"lPJ11E4LC3OoanIPnIpMu4Nj5tU3y1yv+xnoO38YnuiEySC0MyT1ghmp3tHhuQmmOP/0LyEzjen86/GfNvvOCQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:08:31.072401Z","signed_message":"canonical_sha256_bytes"},"source_id":"1804.02668","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:95bea40b03cde8e3b2b414e09ac607022be684f71057e81a147ea7fee3bc975f","sha256:8015b76067bbd00c8554bd26590dbb24e4cfb5488151659174ec9ef1bce63f48"],"state_sha256":"21cd82950d6d31ac9f9a1776788b407c81251ec61d85b24967beffdbd4025a9a"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"QbwtdP3IliNWVgp3vXi6uVEZSFXvl1ZW5QJ4Mk8oR798q2uO97V0xKLZOlySE7xfQmNbEWKK+iXbhnx8zuKSAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-01T20:42:48.273490Z","bundle_sha256":"3d5e43337cefa0a248b1718b129ecd8a526e0c5bc235597c12a9704a0c76fa94"}}