{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.05400946,0.0006000672,0.0009559687,0.001431459,0.003799113,0.01100154,0.001792731,0.0153099,0.004614848],"category_scores_gemma":[0.04659976,0.0003245562,0.0007552318,0.001304883,0.01946281,0.01335547,0.004159067,0.0130577,0.001010012],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.004338409,"about_ca_system_score_gemma":0.01321328,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001239575,"about_ca_topic_score_gemma":0.001694206,"domain_scores_codex":[0.9678043,0.02185725,0.001255096,0.001811057,0.006151209,0.001121105],"domain_scores_gemma":[0.9214656,0.06050828,0.003033094,0.003455373,0.007726598,0.003811143],"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":[0.00004390358,0.00009866539,0.0008309144,0.0003910749,0.00001652663,0.0003704547,0.001205245,0.0008164214,0.0003049975,0.8754302,0.03313461,0.08735716],"study_design_scores_gemma":[0.00002479469,0.00007552798,0.0004281029,0.001348746,0.00001226348,0.0006248834,0.001769039,0.001766206,0.000242936,0.7983671,0.1952971,0.00004330738],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"commentary","genre_gemma":"review","genre_scores_codex":[0.002258075,0.06492626,0.01083546,0.895242,0.002405261,0.00003242277,0.00002959901,0.00002013986,0.02425069],"genre_scores_gemma":[0.2834451,0.2039738,0.05292728,0.4143957,0.02336389,0.0005104997,0.0001448549,0.0001003693,0.02113841],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.05400946,"threshold_uncertainty_score":0.2856328,"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."}}