{"id":"W4412784871","doi":"10.1021/acs.est.5c06872","title":"Heuristic Topological Graph Convolutional Network for Risk Prediction of Potentially Toxic Elements in Cultivated Soils","year":2025,"lang":"en","type":"article","venue":"Environmental Science & Technology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"National Key Research and Development Program of China; Chinese Academy of Sciences; National Natural Science Foundation of China","keywords":"Graph; Computer science; Heuristic; Ecology; Environmental science; Artificial intelligence; Theoretical computer science; 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":[0.0003736784,0.00066472,0.0004148825,0.0007741787,0.0002658551,0.0005478259,0.000760555,0.0006598686,0.0008528608],"category_scores_gemma":[0.001339106,0.0002812846,0.0005071167,0.0004389183,0.0004083762,0.0006411735,0.0004805718,0.0005478969,0.0001054151],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001210196,"about_ca_system_score_gemma":0.0008995643,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0159318,"about_ca_topic_score_gemma":0.01842177,"domain_scores_codex":[0.9998821,0.00002645187,0.000005391924,0.00004148071,0.00001788501,0.00002667683],"domain_scores_gemma":[0.9996986,0.0001481652,0.00005386153,0.00001879614,0.00005614167,0.00002445515],"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":[0.0000639534,0.0000354185,0.005165924,0.0000280577,0.00004474372,0.0000561326,0.00001655238,0.972926,0.001535609,0.002220678,0.0004698041,0.01743716],"study_design_scores_gemma":[0.000001778544,0.000006680838,0.0003053141,0.000001538855,0.000007520112,0.000005205081,0.000001805267,0.9984432,0.0001877111,0.000980325,0.00005681718,0.000002102255],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5731291,0.001261713,0.4186676,0.0009681006,0.00009473156,0.00005603395,0.000782756,0.0009662747,0.004073648],"genre_scores_gemma":[0.9847335,0.0002150777,0.01344394,0.00008440609,0.00001546347,0.00003289353,0.0003525287,0.00001873669,0.001103486],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0159318,"threshold_uncertainty_score":0.03167814,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008858930049910842,"score_gpt":0.2633837966633668,"score_spread":0.2545248666134559,"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."}}