{"id":"W2577559092","doi":"10.29007/493z","title":"Modeling Organic Chemistry and Planning Organic Synthesis","year":2018,"lang":"en","type":"article","venue":"EPiC series in computing","topic":"Semantic Web and Ontologies","field":"Computer Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Toronto Metropolitan University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Computer science; Benchmark (surveying); Set (abstract data type); Domain (mathematical analysis); Organic molecules; Artificial intelligence; Theoretical computer science; Chemistry; Programming language; Molecule; Mathematics; Organic 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":[0.0006468204,0.0007995524,0.0004201424,0.0006317553,0.00066616,0.001647833,0.001541995,0.001273981,0.004632943],"category_scores_gemma":[0.001911194,0.0005268531,0.001079194,0.001073903,0.001829659,0.001780116,0.001406239,0.001130047,0.0006406069],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002054709,"about_ca_system_score_gemma":0.002860009,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01980096,"about_ca_topic_score_gemma":0.0219564,"domain_scores_codex":[0.9995589,0.0001637906,0.00002872186,0.00008024291,0.000113855,0.00005442929],"domain_scores_gemma":[0.9993688,0.0003922645,0.00006304394,0.00008090449,0.00005834471,0.00003658124],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00002776229,0.0000241111,0.0002247236,0.000140182,0.00001173436,0.0000853336,0.00008224511,0.7634425,0.0005858956,0.2208286,0.001482074,0.0130648],"study_design_scores_gemma":[0.00004290827,0.00002397911,0.0001095979,0.00003689419,0.00001485948,0.00004525365,0.00006942167,0.7758993,0.001493539,0.193071,0.02917865,0.00001462433],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.02906328,0.001682691,0.9016178,0.002493237,0.0001867305,0.0002504174,0.001803882,0.001726175,0.0611758],"genre_scores_gemma":[0.3643856,0.003121116,0.613207,0.000328955,0.00008363523,0.0007378738,0.001975622,0.0002886317,0.01587159],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.01980096,"threshold_uncertainty_score":0.03937143,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02047545171841846,"score_gpt":0.2535248274359482,"score_spread":0.2330493757175297,"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."}}