{"id":"W2758514487","doi":"10.1021/acs.est.7b03324","title":"Extended Virtual Screening Strategies To Link Antiandrogenic Activities and Detected Organic Contaminants in Soils","year":2017,"lang":"en","type":"article","venue":"Environmental Science & Technology","topic":"Pharmaceutical and Antibiotic Environmental Impacts","field":"Environmental Science","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Ministry of Science and Technology of the People's Republic of China; Natural Science Foundation of Jiangsu Province; National Natural Science Foundation of China","keywords":"Fractionation; Virtual screening; In silico; Contamination; Chemistry; Identification (biology); Environmental chemistry; Chromatography; Drug discovery; 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":[0.0009337937,0.001214262,0.0009876324,0.0007837979,0.0003098991,0.001152381,0.00106853,0.0004360718,0.001075117],"category_scores_gemma":[0.001100865,0.0004056855,0.001044575,0.000588457,0.0004037953,0.0006041728,0.001370435,0.0004955331,0.0002717227],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006394084,"about_ca_system_score_gemma":0.0009629191,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00145342,"about_ca_topic_score_gemma":0.001560665,"domain_scores_codex":[0.9994127,0.0001838906,0.00003356807,0.0001285023,0.0001682525,0.00007313922],"domain_scores_gemma":[0.999517,0.0001883898,0.00007483079,0.000083502,0.00007980379,0.00005646898],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007870913,0.0008719905,0.008481849,0.000429941,0.0004160413,0.000399451,0.0001325973,0.3079227,0.5766054,0.004991693,0.0006484732,0.09831277],"study_design_scores_gemma":[0.00008353069,0.001771888,0.003966736,0.00001147491,0.0002329605,0.0003177628,0.00008264047,0.7524905,0.2331104,0.004395118,0.003453023,0.00008406219],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.5187302,0.0009525383,0.4741341,0.0001094773,0.00003481062,0.0004722389,0.001041571,0.001983986,0.002541052],"genre_scores_gemma":[0.8211958,0.0006432457,0.1750933,0.0001058084,0.000007472904,0.0003900288,0.001188372,0.00005685327,0.001319083],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.00145342,"threshold_uncertainty_score":0.004938424,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0138270448563837,"score_gpt":0.2734012602682487,"score_spread":0.259574215411865,"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."}}