{"id":"W4411344127","doi":"10.3390/e27060644","title":"Information Theory Meets Quantum Chemistry: A Review and Perspective","year":2025,"lang":"en","type":"review","venue":"Entropy","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Alliance de recherche numérique du Canada; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China; Canada Research Chairs","keywords":"Perspective (graphical); Quantum chemistry; Statistical physics; Computer science; Theoretical physics; Management science; Quantum mechanics; Physics; Artificial intelligence; Engineering; Molecule; Supramolecular chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0007799593,0.0009186447,0.001401824,0.003248989,0.0004359286,0.001383453,0.0008374243,0.001368273,0.004827117],"category_scores_gemma":[0.001549989,0.0003789497,0.0004190906,0.005175071,0.0009000757,0.00304828,0.0009340566,0.002403053,0.00194418],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009401118,"about_ca_system_score_gemma":0.002051127,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001024597,"about_ca_topic_score_gemma":0.001727719,"domain_scores_codex":[0.9997672,0.00006594659,0.00002546003,0.00003969668,0.00007487738,0.00002676708],"domain_scores_gemma":[0.999027,0.0006953879,0.00006883224,0.00002078852,0.0001282142,0.00005966389],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00006055784,0.000100443,0.0002705625,0.02716162,0.0001136686,0.0003108769,0.0002068262,0.0009734764,0.001286041,0.08760507,0.0665876,0.8153233],"study_design_scores_gemma":[0.00000669361,0.0000578378,0.000372066,0.004391087,0.00004950608,0.0005125477,0.00008957932,0.0001789233,0.0002003104,0.02119551,0.9729199,0.00002598084],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.00008150454,0.997366,0.0003037914,0.0005925028,0.000250847,0.000002290932,0.00001148221,0.000005331598,0.001386345],"genre_scores_gemma":[0.0007892671,0.9978938,0.0002278666,0.0003006368,0.000496417,0.000004074343,0.00001321327,0.00000182319,0.000272896],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.004827117,"threshold_uncertainty_score":0.01614827,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008143854996162955,"score_gpt":0.305620308227565,"score_spread":0.2974764532314021,"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."}}