{"id":"W2011047245","doi":"10.1021/ci900350h","title":"2D Depiction of Fragment Hierarchies","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Depiction; Fragment (logic); Tree (set theory); Computer science; Orientation (vector space); Substructure; Tree structure; Structural motif; Data structure; Algorithm; Chemistry; Combinatorics; Mathematics; Geometry; Programming language; Art; Engineering","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":[0.0003349156,0.0007793126,0.0003895214,0.001907503,0.0003644019,0.001589717,0.0007450834,0.0006426573,0.02723089],"category_scores_gemma":[0.001362254,0.0004085487,0.0004831872,0.001251089,0.0003068051,0.001285756,0.001148102,0.001030095,0.003129412],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005627072,"about_ca_system_score_gemma":0.0006173878,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002723647,"about_ca_topic_score_gemma":0.003197956,"domain_scores_codex":[0.9997991,0.00004689048,0.00001191723,0.00002819223,0.0000792008,0.00003470695],"domain_scores_gemma":[0.99931,0.0003276623,0.00005754677,0.00009877146,0.0001444885,0.0000615604],"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":[0.001752409,0.0001876822,0.003872437,0.002025045,0.0001255033,0.002472744,0.00309978,0.1508478,0.2474374,0.1289692,0.08677316,0.3724369],"study_design_scores_gemma":[0.00024919,0.0003040187,0.005403873,0.0004595938,0.0001177797,0.002106205,0.0006397401,0.6152378,0.08316552,0.0545077,0.2375578,0.0002509209],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.05669575,0.001234797,0.8810219,0.001364889,0.0002763954,0.0002412585,0.008528905,0.01692951,0.03370667],"genre_scores_gemma":[0.2965049,0.001873565,0.6782612,0.0004496221,0.0001067105,0.0004406831,0.006248511,0.001910035,0.01420477],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.02723089,"threshold_uncertainty_score":0.0910964,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02395579796996431,"score_gpt":0.2949385817374885,"score_spread":0.2709827837675242,"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."}}