{"id":"W2212557680","doi":"10.1142/s0219720016500049","title":"Predicting GHS toxicity using RTCA and discrete-time Fourier transform","year":2015,"lang":"en","type":"article","venue":"Journal of Bioinformatics and Computational Biology","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Alberta Health; University of Calgary; University of Alberta","funders":"","keywords":"Cytotoxicity; Toxicity; In vivo; Acute toxicity; Computer science; Biological system; Pharmacology; Toxicology; Biology; Chemistry; In vitro; Biochemistry; Biotechnology","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":[0.001083959,0.0001290273,0.0002686847,0.0001989317,0.0001045318,0.000132226,0.0002355798,0.00006805334,0.000002110678],"category_scores_gemma":[0.0001285603,0.0001019876,0.00005946938,0.000160698,0.0001120041,0.0008657014,0.0001511808,0.0001549709,0.000001639267],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004537317,"about_ca_system_score_gemma":0.0002755467,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004650351,"about_ca_topic_score_gemma":5.231071e-7,"domain_scores_codex":[0.9987149,0.00009709174,0.0006404445,0.0001061767,0.0002729392,0.0001684322],"domain_scores_gemma":[0.9985821,0.0004352159,0.0004132703,0.00007570688,0.0002959853,0.0001976924],"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":[0.0001927143,0.000167228,0.00835219,0.0001361909,0.0003927123,0.00002836549,0.00896604,0.5257353,0.0003213292,0.0896448,0.0004110825,0.3656521],"study_design_scores_gemma":[0.000579108,0.0002874654,0.001031696,0.00002477712,0.00001359105,0.0006333732,0.0001071956,0.9026828,0.00003388239,0.09424654,0.0002519628,0.0001075752],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.2945754,0.000169701,0.7040555,0.0006869098,0.0001595169,0.00005899094,0.000008809978,0.00001034484,0.0002747597],"genre_scores_gemma":[0.3746547,0.00001282125,0.6249767,0.000256806,0.00008474528,4.673837e-7,0.0000049044,0.000004050126,0.000004851279],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.3769475,"threshold_uncertainty_score":0.4158934,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02996827221963222,"score_gpt":0.3055107492716636,"score_spread":0.2755424770520314,"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."}}