{"id":"W4395683067","doi":"10.5376/cmb.2024.14.0002","title":"Artificial Intelligence and Drug Design: Future Prospects and Ethical Considerations","year":2024,"lang":"en","type":"article","venue":"Computational Molecular Biology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Drug; Engineering ethics; Management science; Computer science; Psychology; Medicine; Engineering; Pharmacology","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005478889,0.0001522866,0.0001514303,0.0001663008,0.0001504585,0.0003265078,0.0001510223,0.0001306039,0.000009123119],"category_scores_gemma":[0.0001943206,0.000144739,0.00003820399,0.0002834761,0.0002318471,0.0001126,0.0002423897,0.0003386158,0.00001581562],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002422103,"about_ca_system_score_gemma":0.000246619,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002975841,"about_ca_topic_score_gemma":0.000001570673,"domain_scores_codex":[0.9983755,0.000457618,0.0002614016,0.0005761718,0.0001536155,0.000175687],"domain_scores_gemma":[0.9979281,0.001700362,0.00003413669,0.0001313433,0.0001131032,0.00009298108],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000003108372,0.00001059754,0.000008694866,0.00001484727,0.00002327113,0.00005641244,0.000322261,0.04459543,0.000564657,0.9258019,0.0001086761,0.02849016],"study_design_scores_gemma":[0.00001680245,0.0000346025,0.0001658146,0.000009502794,0.000004494835,0.0001474358,0.000007978328,0.4110625,0.0003664659,0.5880131,0.00007648912,0.00009474943],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.006254491,0.002216589,0.9674541,0.02319451,0.0004612828,0.0002111298,0.000006645867,0.0001377644,0.0000634348],"genre_scores_gemma":[0.6139311,0.000008046974,0.3849523,0.0009919679,0.00008285991,0.00001472229,0.000009947519,0.000006303304,0.000002738104],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.6076766,"threshold_uncertainty_score":0.5902284,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04085469110490558,"score_gpt":0.3539375980826684,"score_spread":0.3130829069777629,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}