{"id":"W4402456300","doi":"10.1039/d4mh00332b","title":"Towards an information-based theory of structure","year":2024,"lang":"en","type":"review","venue":"Materials Horizons","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Phenomenon; Materials science; Statistical physics; Epistemology; Physics; Philosophy","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00218848,0.001051832,0.001083928,0.003027898,0.0006143618,0.002793848,0.002020177,0.002075169,0.003081999],"category_scores_gemma":[0.002056276,0.0005149038,0.0006327019,0.002384872,0.007415018,0.00613119,0.001988459,0.003979453,0.001327797],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003047468,"about_ca_system_score_gemma":0.002270162,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001296999,"about_ca_topic_score_gemma":0.001242987,"domain_scores_codex":[0.9991067,0.0003533587,0.00004562993,0.0001077597,0.0003419948,0.000044598],"domain_scores_gemma":[0.9991378,0.0005799846,0.00007097159,0.0001025448,0.00008521677,0.00002357788],"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":[0.000004904477,0.000005913209,0.00003671772,0.0007988347,0.00001949948,0.00003042526,0.00004798036,0.0006209434,0.0002586147,0.936019,0.007364044,0.05479304],"study_design_scores_gemma":[0.000007487017,0.00001735158,0.0001615478,0.000922997,0.000014932,0.0002391836,0.00005305783,0.001529588,0.0004139652,0.7250999,0.2715189,0.00002112069],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.001549533,0.8239917,0.1045218,0.01448796,0.001589085,0.0000357948,0.0002751084,0.00018069,0.05336854],"genre_scores_gemma":[0.0651916,0.8457568,0.07080968,0.005511209,0.002675019,0.0002679772,0.000495419,0.00008533709,0.009206963],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.003081999,"threshold_uncertainty_score":0.022111,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03761377302505933,"score_gpt":0.3496306402589071,"score_spread":0.3120168672338478,"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."}}