{"id":"W2077046074","doi":"10.1021/ci034147w","title":"Inductive Electronegativity Scale. Iterative Calculation of Inductive Partial Charges","year":2003,"lang":"en","type":"article","venue":"Journal of Chemical Information and Computer Sciences","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Electronegativity; Inductive effect; Scale (ratio); Computer science; Statistical physics; Physics; Chemistry; Quantum mechanics; Organic chemistry","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":[0.001482509,0.000101603,0.0002356728,0.000135578,0.0001078763,0.0001864266,0.0002266574,0.0000518458,0.0000560224],"category_scores_gemma":[0.0002016346,0.00007243373,0.00004075063,0.0002851254,0.0004932497,0.002575981,0.00005104385,0.0001401236,0.000004898905],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002950083,"about_ca_system_score_gemma":0.0001270092,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008198781,"about_ca_topic_score_gemma":2.493624e-7,"domain_scores_codex":[0.9984829,0.0001715569,0.0005763423,0.000110521,0.0004894065,0.0001692736],"domain_scores_gemma":[0.9986098,0.0001068677,0.000823897,0.0000634557,0.0003168212,0.00007916749],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00005336205,0.00006691118,0.003665971,0.00003126843,0.000008909187,5.406582e-7,0.006568844,0.001665116,0.972326,0.01035631,0.0001268685,0.00512989],"study_design_scores_gemma":[0.000295342,0.0003058841,0.002394393,0.00004162857,0.000007161911,0.00005454328,0.0001186925,0.01541584,0.9795657,0.001396656,0.0002898722,0.0001143232],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9506235,0.00001685064,0.04847806,0.0001630841,0.0003517694,0.0000659417,0.000001811089,0.000007983146,0.0002910464],"genre_scores_gemma":[0.9629992,0.000003999728,0.03681162,0.0001049836,0.00007516524,0.000001269902,4.638356e-7,0.000001458343,0.000001893895],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01375072,"threshold_uncertainty_score":0.2953762,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01194296355221403,"score_gpt":0.2607042645147699,"score_spread":0.2487613009625559,"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."}}