{"id":"W2047788433","doi":"10.1021/jp0404596","title":"What Is an Atom in a Molecule?","year":2005,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":407,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Molecule; Atom (system on chip); Noumenon; Atoms in molecules; Epistemology; Chemistry; Theoretical physics; Physics; Philosophy; Computer science; Quantum mechanics","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001894375,0.0001803677,0.0002503838,0.00001027739,0.00006349784,0.00003516585,0.0006055874,0.0000782925,0.001058116],"category_scores_gemma":[0.00002418149,0.0001343259,0.0001377853,0.00009882899,0.0001308866,0.0005543929,0.00005426036,0.0006526674,0.00001559182],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001721314,"about_ca_system_score_gemma":0.0000668368,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":9.98011e-7,"about_ca_topic_score_gemma":4.881156e-7,"domain_scores_codex":[0.9988754,0.00001751817,0.0003651198,0.0001447478,0.000357666,0.0002395472],"domain_scores_gemma":[0.9990314,0.00008878207,0.0002807153,0.00038465,0.00006940998,0.0001450916],"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":[0.00011201,0.0004636782,0.00001192817,0.00007643332,0.00002616149,0.00002177368,0.001794067,0.0009543195,0.9933189,0.000008118578,0.0002810062,0.002931609],"study_design_scores_gemma":[0.0006005663,0.00001725735,0.00000261236,0.000170465,0.0000338032,0.00008983377,0.0009495477,0.0008823001,0.964067,0.0003002921,0.03273096,0.000155348],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9901969,0.0005365282,0.00004069065,0.000449702,0.0000206508,0.00001474371,0.000004568245,0.00001174844,0.008724476],"genre_scores_gemma":[0.9960791,0.0001013066,0.00007867968,0.0002858103,0.001260559,0.000001929652,0.000002679643,0.00001928593,0.002170678],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03244995,"threshold_uncertainty_score":0.999855,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01262807729644978,"score_gpt":0.2779786020614582,"score_spread":0.2653505247650085,"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."}}