{"id":"W4403465116","doi":"10.1515/ci-2024-0410","title":"InChI 1.07 available on GitHub","year":2024,"lang":"en","type":"article","venue":"Chemistry International","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of California, San Diego; University of Waterloo","keywords":"Computer science","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.002348947,0.003117959,0.002895193,0.003413767,0.0009647654,0.00600643,0.00564649,0.00308202,0.7426038],"category_scores_gemma":[0.01195703,0.003304815,0.001845377,0.002809108,0.000738935,0.005961026,0.005749031,0.004176925,0.8498666],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001547975,"about_ca_system_score_gemma":0.001748105,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003727629,"about_ca_topic_score_gemma":0.003336296,"domain_scores_codex":[0.9983044,0.0001733609,0.0001491623,0.0003619691,0.0007213659,0.0002897305],"domain_scores_gemma":[0.993236,0.001064861,0.000288708,0.002152192,0.002552826,0.0007054662],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001999987,0.00001986812,0.00009929495,0.0003156869,0.0000179872,0.00004128766,0.00003347131,0.00007439033,0.0008216366,0.0009133898,0.9804572,0.01700564],"study_design_scores_gemma":[0.0001425642,0.00004970009,0.001002233,0.0001973969,0.00003037544,0.0002148321,0.00002884293,0.0006485273,0.003398828,0.003084135,0.9910758,0.000126843],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"software","genre_gemma":"software","genre_scores_codex":[0.0004952968,0.0005308504,0.0184105,0.0007038785,0.000781802,0.0002718249,0.1185133,0.7711895,0.08910313],"genre_scores_gemma":[0.006995087,0.0006142157,0.01621536,0.002090596,0.0004221704,0.0007573667,0.3662987,0.4198481,0.1867584],"genre_candidate":"software","genre_consensus":"software","teacher_disagreement_score":0.7426038,"threshold_uncertainty_score":0.3671445,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01088466359682677,"score_gpt":0.2701399327866683,"score_spread":0.2592552691898415,"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."}}