{"id":"W4313825155","doi":"10.58250/jnanabha.2022.52123","title":"NEIGHBORHOOD TOPOLOGICAL INDICES OF METAL-ORGANIC NETWORKS","year":2022,"lang":"en","type":"article","venue":"jnanabha","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Toronto Metropolitan University","funders":"","keywords":"Topological index; Reciprocal; Stability (learning theory); Metal; Index (typography); Porosity; Metal ions in aqueous solution; Chemical stability; Surface (topology); Topology (electrical circuits); Group (periodic table); Materials science; Chemistry; Computational chemistry; Computer science; Mathematics; Organic chemistry; Geometry; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006891393,0.0000995077,0.000192382,0.0001086034,0.0001576102,0.00003480412,0.001079125,0.00002921512,0.000398642],"category_scores_gemma":[0.00007311012,0.00009268459,0.0000984702,0.0008129667,0.00004541797,0.0002147525,0.001171374,0.0002164735,0.000007672003],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005417972,"about_ca_system_score_gemma":0.00009493693,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001736527,"about_ca_topic_score_gemma":0.000002667692,"domain_scores_codex":[0.9984146,0.0004146851,0.0002526113,0.0003029176,0.0004074171,0.0002077953],"domain_scores_gemma":[0.9990094,0.0003790258,0.0001530735,0.0003685143,0.00003570286,0.00005429494],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00001593058,0.0002508055,0.002533499,0.00001020555,0.00008783452,0.00005306453,0.0007962649,0.2038868,0.0006602483,0.7497153,0.0013576,0.04063247],"study_design_scores_gemma":[0.000799065,0.0006914742,0.05408064,0.0000064706,0.00004033652,0.0001394274,0.000237803,0.6983806,0.001385733,0.2313578,0.01231502,0.0005656021],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1061289,0.0005808749,0.8866929,0.001325816,0.0007670351,0.0001359869,0.000005262816,0.0001090129,0.004254151],"genre_scores_gemma":[0.9808409,0.000005497248,0.01834569,0.0005830085,0.00005884352,0.00001844113,0.000004365977,0.00000682401,0.000136448],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.874712,"threshold_uncertainty_score":0.4364851,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01778112563345957,"score_gpt":0.2707361669286196,"score_spread":0.25295504129516,"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."}}