{"id":"W4243992036","doi":"10.2172/819918","title":"Assessment of Molecular Modeling & Simulation","year":2002,"lang":"en","type":"report","venue":"","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Formalism (music); Generality; Computer science; Statistical physics; Molecular dynamics; Granularity; Theoretical physics; Physics; Quantum mechanics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.006584767,0.0009191839,0.0007633978,0.001682658,0.0009153869,0.003202541,0.00177723,0.001432653,0.01249865],"category_scores_gemma":[0.0281955,0.0003164092,0.000763802,0.001132188,0.0005549071,0.002431831,0.001622484,0.0009469255,0.002954494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002108046,"about_ca_system_score_gemma":0.002557557,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01021847,"about_ca_topic_score_gemma":0.005746883,"domain_scores_codex":[0.993615,0.002549844,0.0001937379,0.0003367025,0.003090968,0.0002136459],"domain_scores_gemma":[0.9852491,0.007439014,0.0005451467,0.001995572,0.004443593,0.0003275674],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0003649067,0.0002352234,0.01050115,0.0002896102,0.0001354717,0.0001520965,0.000104285,0.8033724,0.001612518,0.03512468,0.01152112,0.1365865],"study_design_scores_gemma":[0.0000397072,0.00008903915,0.001489512,0.00009814167,0.00005142847,0.000057148,0.00008978048,0.9599532,0.003510222,0.008351726,0.02624492,0.00002506218],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2516327,0.00467582,0.426032,0.009653548,0.001571984,0.001089005,0.008711144,0.009657118,0.2869768],"genre_scores_gemma":[0.8546425,0.001880278,0.1253926,0.000635905,0.0001507047,0.0005868112,0.003733441,0.001228525,0.01174935],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01249865,"threshold_uncertainty_score":0.04181212,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1188723686887943,"score_gpt":0.4096002517247825,"score_spread":0.2907278830359882,"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."}}