{"id":"W2131298523","doi":"10.1126/science.293.5538.2277","title":"Modeling--A Tool for Experimentalists","year":2001,"lang":"en","type":"article","venue":"Science","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Computer science; Molecular model; Range (aeronautics); Chemistry; Aerospace engineering; Engineering","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":[0.0009062482,0.000073376,0.00006805445,0.0001093995,0.0002505271,0.0002665553,0.001264262,0.00001305747,0.000006113401],"category_scores_gemma":[0.0001570873,0.00006899587,0.00004058031,0.0007562469,0.0001211162,0.001222186,0.0002807428,0.00003145299,0.00002120942],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007932968,"about_ca_system_score_gemma":0.0002322518,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006613754,"about_ca_topic_score_gemma":9.269212e-7,"domain_scores_codex":[0.9987159,0.00002073565,0.0001318271,0.000426335,0.0004206132,0.0002845291],"domain_scores_gemma":[0.9993256,0.00008468418,0.0000237465,0.0003687192,0.0001263057,0.00007095657],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00001431163,0.0001038376,0.0002617929,0.000006505422,0.000003582629,0.00000716365,0.001179187,0.4350936,0.02277677,0.4603423,0.0001800873,0.08003081],"study_design_scores_gemma":[0.0001188879,0.00002486675,0.0003052407,0.000003853526,5.249357e-7,0.00001539541,0.00001501001,0.9625711,0.004637625,0.03112531,0.001078974,0.0001031651],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2390996,0.00004631385,0.7591167,0.0003560832,0.0003927619,0.0001227067,8.070018e-7,0.00006937151,0.0007956667],"genre_scores_gemma":[0.7048017,0.00000189767,0.2947056,0.000316179,0.00004114781,0.00002599227,4.49617e-7,0.000002838824,0.0001041784],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.5274775,"threshold_uncertainty_score":0.281357,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04985842914684666,"score_gpt":0.3749625772884641,"score_spread":0.3251041481416175,"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."}}