{"id":"W4238419703","doi":"10.1002/chin.200427285","title":"Molecular Similarity, Quantum Topology, and Shape","year":2004,"lang":"en","type":"article","venue":"ChemInform","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Chemistry; Topology (electrical circuits); Similarity (geometry); Quantum; Nanotechnology; Quantum mechanics; Artificial intelligence; Combinatorics; Physics","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":[0.00005527498,0.0001550721,0.0001550381,0.00001745788,0.00007335845,0.00003373922,0.0001673295,0.0001703517,0.000778654],"category_scores_gemma":[0.00003487001,0.000154549,0.00006774454,0.00005332597,0.0001460003,0.00007512621,0.0001213805,0.0002135052,0.00002194364],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005852615,"about_ca_system_score_gemma":0.00004366669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004014013,"about_ca_topic_score_gemma":0.00000612187,"domain_scores_codex":[0.9992108,1.954131e-7,0.0001732631,0.0002109197,0.0001310687,0.0002737235],"domain_scores_gemma":[0.999498,0.000008929297,0.00005224452,0.0003011549,0.00002177814,0.0001178912],"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":[0.00007115432,0.0001802969,0.0008500026,0.0004769764,0.0001162065,0.0002093636,0.0008374266,0.000004625379,0.8292609,0.1352605,0.0007962509,0.03193632],"study_design_scores_gemma":[0.0005590327,0.00001787965,0.0001265397,0.0000265565,0.00001854643,0.00004914415,0.00008023697,0.00003322688,0.9827818,0.008677559,0.007433749,0.000195703],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5618317,0.0003197303,0.00001581908,0.0004782724,0.00002850705,0.00002795942,0.00000692803,0.00007314383,0.437218],"genre_scores_gemma":[0.9985772,0.00005547851,0.0001398447,0.0006020768,0.0000481961,0.00000905703,0.00002845114,0.00001388614,0.0005257577],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4367456,"threshold_uncertainty_score":0.8525715,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00969866619149543,"score_gpt":0.2565208748628747,"score_spread":0.2468222086713793,"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."}}