{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2022:P3AMEU4TDLGCKULBPMRP245RXJ","short_pith_number":"pith:P3AMEU4T","schema_version":"1.0","canonical_sha256":"7ec0c253931acc2551617b22fd73b1ba7e950b870dcb96d7d0742a35265da728","source":{"kind":"arxiv","id":"2203.10446","version":2},"attestation_state":"computed","paper":{"title":"A 3D Generative Model for Structure-Based Drug Design","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"q-bio.BM","authors_text":"Jian Peng, Jianzhu Ma, Jiaqi Guan, Shitong Luo","submitted_at":"2022-03-20T03:54:47Z","abstract_excerpt":"We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are mostly string-based or graph-based. They are limited by the lack of spatial information and thus unable to be applied to structure-based design tasks. Particularly, such models have no or little knowledge of how molecules interact with their target proteins exactly in 3D space. In this paper, we propose a 3D generative model that generates molecules given a "},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2203.10446","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2022-03-20T03:54:47Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"376f61ad1c75fc747890a78f4b95afb341f18577e1753f97baa8a5aa4a1f00ae","abstract_canon_sha256":"1ec1a24651776f09608aa06b05300d87c094b1eb317d5684c1455d1eb9b4afaf"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:15:22.978504Z","signature_b64":"C9MHRzAyYnvbnP7F0i80lyiWZdfxDG6l+t6S3y0lI6BoUOVQN+/34zjOYV/Gw/XSFoq7ZvnqEagtNI7qZtwHBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7ec0c253931acc2551617b22fd73b1ba7e950b870dcb96d7d0742a35265da728","last_reissued_at":"2026-07-05T05:15:22.978070Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:15:22.978070Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"A 3D Generative Model for Structure-Based Drug Design","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"q-bio.BM","authors_text":"Jian Peng, Jianzhu Ma, Jiaqi Guan, Shitong Luo","submitted_at":"2022-03-20T03:54:47Z","abstract_excerpt":"We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are mostly string-based or graph-based. They are limited by the lack of spatial information and thus unable to be applied to structure-based design tasks. Particularly, such models have no or little knowledge of how molecules interact with their target proteins exactly in 3D space. In this paper, we propose a 3D generative model that generates molecules given a "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.10446","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2203.10446/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2203.10446","created_at":"2026-07-05T05:15:22.978122+00:00"},{"alias_kind":"arxiv_version","alias_value":"2203.10446v2","created_at":"2026-07-05T05:15:22.978122+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.10446","created_at":"2026-07-05T05:15:22.978122+00:00"},{"alias_kind":"pith_short_12","alias_value":"P3AMEU4TDLGC","created_at":"2026-07-05T05:15:22.978122+00:00"},{"alias_kind":"pith_short_16","alias_value":"P3AMEU4TDLGCKULB","created_at":"2026-07-05T05:15:22.978122+00:00"},{"alias_kind":"pith_short_8","alias_value":"P3AMEU4T","created_at":"2026-07-05T05:15:22.978122+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":1,"internal_anchor_count":0,"sample":[{"citing_arxiv_id":"2606.01628","citing_title":"Demystifying Multimodal Biomolecular Co-design With Intrinsic Geodesic Coupling","ref_index":215,"is_internal_anchor":false}]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ","json":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ.json","graph_json":"https://pith.science/api/pith-number/P3AMEU4TDLGCKULBPMRP245RXJ/graph.json","events_json":"https://pith.science/api/pith-number/P3AMEU4TDLGCKULBPMRP245RXJ/events.json","paper":"https://pith.science/paper/P3AMEU4T"},"agent_actions":{"view_html":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ","download_json":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ.json","view_paper":"https://pith.science/paper/P3AMEU4T","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2203.10446&json=true","fetch_graph":"https://pith.science/api/pith-number/P3AMEU4TDLGCKULBPMRP245RXJ/graph.json","fetch_events":"https://pith.science/api/pith-number/P3AMEU4TDLGCKULBPMRP245RXJ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ/action/storage_attestation","attest_author":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ/action/author_attestation","sign_citation":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ/action/citation_signature","submit_replication":"https://pith.science/pith/P3AMEU4TDLGCKULBPMRP245RXJ/action/replication_record"}},"created_at":"2026-07-05T05:15:22.978122+00:00","updated_at":"2026-07-05T05:15:22.978122+00:00"}