{"id":"W2126508746","doi":"10.1023/a:1015142527070","title":"Metric Properties of Factor Space of Molecular Shapes","year":2001,"lang":"en","type":"article","venue":"Journal of Mathematical Chemistry","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Mathematics; Equivalence (formal languages); Mathematical chemistry; Metric (unit); Metric space; Pure mathematics; Combinatorics","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":[0.001735512,0.001177065,0.001183251,0.005096971,0.001131161,0.003818801,0.001683578,0.001354715,0.005832759],"category_scores_gemma":[0.01574995,0.0005531205,0.0009456276,0.002849747,0.002817229,0.004672335,0.002253769,0.001531811,0.0007131508],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0014723,"about_ca_system_score_gemma":0.0008582249,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003040877,"about_ca_topic_score_gemma":0.001348701,"domain_scores_codex":[0.9984604,0.000512307,0.0001140058,0.0002413428,0.000510117,0.0001617528],"domain_scores_gemma":[0.9907581,0.003772996,0.001597345,0.0008014665,0.001972385,0.001097771],"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":[0.0001247032,0.00003290314,0.001329625,0.00007765911,0.00003146108,0.0000807293,0.0002292133,0.0185795,0.001474789,0.9587008,0.001578199,0.01776041],"study_design_scores_gemma":[0.00001812257,0.00008170286,0.0008059005,0.00001955188,0.00001277613,0.0001660163,0.00008902556,0.07124547,0.0004549355,0.9246819,0.00238125,0.00004328699],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4609376,0.002019265,0.5119905,0.001377732,0.0001539859,0.000130079,0.001443574,0.0004324522,0.02151472],"genre_scores_gemma":[0.9355398,0.001578229,0.05386189,0.0002568195,0.0003213831,0.0001583229,0.001465426,0.0002514929,0.006566619],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005832759,"threshold_uncertainty_score":0.01951253,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0330086127839658,"score_gpt":0.286458279796029,"score_spread":0.2534496670120632,"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."}}