{"id":"W2074909247","doi":"10.1021/ci3000216","title":"Harvesting Classification Trees for Drug Discovery","year":2012,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia; Acadia University; University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Drug discovery; Computer science; Computational biology; Biology; Bioinformatics","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":[0.002948396,0.001366989,0.002048421,0.004724329,0.001282498,0.002134467,0.002198854,0.001893072,0.004598615],"category_scores_gemma":[0.01400236,0.0009778519,0.002439315,0.004743259,0.000935898,0.002533316,0.002225933,0.002935203,0.002992088],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001411541,"about_ca_system_score_gemma":0.001651439,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002655076,"about_ca_topic_score_gemma":0.003367307,"domain_scores_codex":[0.9976218,0.0007158039,0.0002271468,0.0004308176,0.0008077542,0.0001966616],"domain_scores_gemma":[0.9921291,0.005135998,0.0005286544,0.0009783905,0.001021494,0.0002064188],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001730602,0.0001558885,0.00269626,0.000521094,0.0001448874,0.0002127616,0.0002459192,0.164634,0.0044628,0.03083286,0.02084635,0.7750741],"study_design_scores_gemma":[0.0000391939,0.00006732382,0.0005786901,0.0001154161,0.0000480485,0.00009645549,0.00005523179,0.8821861,0.002421637,0.09955748,0.01480895,0.00002552766],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.007192578,0.001856688,0.981736,0.0007380841,0.0001883899,0.0001997663,0.0007183735,0.004825363,0.002544784],"genre_scores_gemma":[0.1092469,0.001731205,0.8801041,0.0005632847,0.0002779969,0.000494768,0.004808783,0.0006205597,0.002152565],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004724329,"threshold_uncertainty_score":0.01559281,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06652699839187372,"score_gpt":0.3255266103784071,"score_spread":0.2589996119865334,"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."}}