{"id":"W6901687405","doi":"10.60692/p3pff-7c077","title":"Report on the sixth blind test of organic crystal structure prediction methods","year":2016,"lang":"en","type":"article","venue":"Greater South Information System","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Ranking (information retrieval); Crystal structure prediction; Crystal structure; Range (aeronautics); Complement (music); Solid-state","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":["metaresearch"],"consensus_categories":[],"category_scores_codex":[0.1165623,0.002051384,0.00207851,0.002588861,0.004145582,0.007392678,0.005349895,0.006296531,0.0254729],"category_scores_gemma":[0.2374957,0.001063877,0.002941653,0.00235668,0.002925992,0.004698145,0.008096437,0.006437395,0.01905988],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003343922,"about_ca_system_score_gemma":0.007834803,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0074037,"about_ca_topic_score_gemma":0.004633103,"domain_scores_codex":[0.8936737,0.0295496,0.005224502,0.007538382,0.06001431,0.00399944],"domain_scores_gemma":[0.6654671,0.1467351,0.00995888,0.04433782,0.1162883,0.0172129],"domain_codex":null,"domain_gemma":"methods","domain_candidate":"methods","domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"observational","study_design_scores_codex":[0.004535068,0.001543119,0.01091075,0.0009053927,0.0005492943,0.0007647653,0.0006985196,0.01043185,0.009797812,0.02153292,0.6977677,0.2405629],"study_design_scores_gemma":[0.002158777,0.00431734,0.01355941,0.0007714272,0.000290702,0.001153471,0.0008431789,0.07617718,0.07586164,0.03192734,0.7923242,0.00061529],"study_design_candidate":"observational","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.173347,0.01511825,0.3299197,0.1299843,0.1081733,0.00650652,0.04609175,0.03813927,0.1527201],"genre_scores_gemma":[0.4279849,0.004156864,0.2866721,0.03735673,0.00894621,0.003730998,0.0988829,0.01192805,0.1203412],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8834377,"threshold_uncertainty_score":0.6164477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02157305870500765,"score_gpt":0.2464886300290443,"score_spread":0.2249155713240366,"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."}}