{"id":"W2573693981","doi":"10.3390/mol2net-02-03865","title":"Molecular descriptor from atomic weighted vectors to predict aquatic toxicity","year":2017,"lang":"en","type":"article","venue":"","topic":"Water Quality Monitoring and Analysis","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Computer science; Toxicity; Aquatic toxicology; Artificial intelligence; Biological system; Chemistry; Biology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005598064,0.0004630364,0.0004938174,0.001163403,0.0001422371,0.000458328,0.0003342837,0.0003161203,0.0009093289],"category_scores_gemma":[0.001689371,0.0001371683,0.0007066783,0.001025561,0.0001486827,0.0003922029,0.0003143855,0.0004157129,0.0002390729],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000450727,"about_ca_system_score_gemma":0.0005634521,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004356663,"about_ca_topic_score_gemma":0.002633743,"domain_scores_codex":[0.9998294,0.00005789045,0.00001214398,0.00002541164,0.00005643139,0.00001874193],"domain_scores_gemma":[0.9994739,0.0003338598,0.00005918411,0.00002398227,0.00008770132,0.00002138641],"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":[0.0003453872,0.0002183019,0.01971515,0.0001614316,0.0001501854,0.0000590669,0.00002928036,0.8387514,0.01523746,0.001790761,0.001112572,0.122429],"study_design_scores_gemma":[0.000006020807,0.00005695411,0.00270591,0.000003382295,0.000009529949,0.0000100214,0.000005639393,0.994195,0.002268687,0.0004301905,0.0002993212,0.000009355547],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7313888,0.0009125412,0.2623748,0.0001332781,0.00005025011,0.0001609248,0.001969745,0.001204067,0.001805576],"genre_scores_gemma":[0.936502,0.0002733712,0.05943369,0.00002533855,0.00001741182,0.0001426481,0.002498175,0.00004761315,0.001059843],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004356663,"threshold_uncertainty_score":0.008662581,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0178460680256144,"score_gpt":0.2472013204916354,"score_spread":0.229355252466021,"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."}}