{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:ZQUAOORMUQNCKQZDDY66F5Z3GP","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":"bb3bc43ee069d14d88b3be2d8c4e504f1b550ce096463144e19fefb7b7c63308","cross_cats_sorted":["cs.AI","q-bio.BM"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-08T14:48:47Z","title_canon_sha256":"362b8a1e1a3400f4e552c4584763499dd4965bd0f126075ddc89a88e5eb4438b"},"schema_version":"1.0","source":{"id":"2508.06364","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2508.06364","created_at":"2026-07-05T11:50:54Z"},{"alias_kind":"arxiv_version","alias_value":"2508.06364v1","created_at":"2026-07-05T11:50:54Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2508.06364","created_at":"2026-07-05T11:50:54Z"},{"alias_kind":"pith_short_12","alias_value":"ZQUAOORMUQNC","created_at":"2026-07-05T11:50:54Z"},{"alias_kind":"pith_short_16","alias_value":"ZQUAOORMUQNCKQZD","created_at":"2026-07-05T11:50:54Z"},{"alias_kind":"pith_short_8","alias_value":"ZQUAOORM","created_at":"2026-07-05T11:50:54Z"}],"graph_snapshots":[{"event_id":"sha256:ee614f96f44b51187f0cd6b2417ca8b0dfeb3f93e0fbe26790458e3302f76937","target":"graph","created_at":"2026-07-05T11:50:54Z","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/2508.06364/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Achieving precise control over a molecule's biological activity-encompassing targeted activation/inhibition, cooperative multi-target modulation, and off-target toxicity mitigation-remains a critical challenge in de novo drug design. However, existing generative methods primarily focus on producing molecules with a single desired activity, lacking integrated mechanisms for the simultaneous management of multiple intended and unintended molecular interactions. Here, we propose ActivityDiff, a generative approach based on the classifier-guidance technique of diffusion models. It leverages separa","authors_text":"Huimin Zhu, Jing Tang, Min Li, Renyi Zhou","cross_cats":["cs.AI","q-bio.BM"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-08T14:48:47Z","title":"ActivityDiff: A diffusion model with Positive and Negative Activity Guidance for De Novo Drug Design"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2508.06364","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:b3c3faa92ab6e83b64cc3b432fa6ac8b18daff62bebfa11ddc3f3e9270dcd6d2","target":"record","created_at":"2026-07-05T11:50:54Z","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":"bb3bc43ee069d14d88b3be2d8c4e504f1b550ce096463144e19fefb7b7c63308","cross_cats_sorted":["cs.AI","q-bio.BM"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-08T14:48:47Z","title_canon_sha256":"362b8a1e1a3400f4e552c4584763499dd4965bd0f126075ddc89a88e5eb4438b"},"schema_version":"1.0","source":{"id":"2508.06364","kind":"arxiv","version":1}},"canonical_sha256":"cc28073a2ca41a2543231e3de2f73b33f98509057c693ffefc610e03a2145f20","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"cc28073a2ca41a2543231e3de2f73b33f98509057c693ffefc610e03a2145f20","first_computed_at":"2026-07-05T11:50:54.952209Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:50:54.952209Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"8RXtO3SUgtsk9efwiUCD6WkhHdLUS07BTXsSuDx4eh5ZEnSZgc6dCuhvZXVynrtr11SeALwxRBPRGtPG03VRCQ==","signature_status":"signed_v1","signed_at":"2026-07-05T11:50:54.952687Z","signed_message":"canonical_sha256_bytes"},"source_id":"2508.06364","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:b3c3faa92ab6e83b64cc3b432fa6ac8b18daff62bebfa11ddc3f3e9270dcd6d2","sha256:ee614f96f44b51187f0cd6b2417ca8b0dfeb3f93e0fbe26790458e3302f76937"],"state_sha256":"9f59797df7dbd369b2d98d3d8c86fdfc42ca3561be9f8f98933a6a907c14bf10"}