{"id":"W4238427889","doi":"10.1002/chin.200401270","title":"Atoms in Medicinal Chemistry","year":2003,"lang":"en","type":"article","venue":"ChemInform","topic":"Inorganic and Organometallic Chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Chemistry; Nanotechnology; Computational chemistry","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":[0.0004632483,0.000432563,0.0004386155,0.0006214879,0.0004594655,0.001024978,0.0005227089,0.0008882923,0.0530987],"category_scores_gemma":[0.0005620243,0.000214396,0.0001886972,0.0009443095,0.000891864,0.001137745,0.0009405794,0.001388783,0.0144383],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008318531,"about_ca_system_score_gemma":0.0005819693,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009317061,"about_ca_topic_score_gemma":0.002141542,"domain_scores_codex":[0.9997887,0.00007516194,0.000009561575,0.00002177574,0.00008259335,0.00002219945],"domain_scores_gemma":[0.9998306,0.00006331625,0.00001260095,0.00002488668,0.00003409833,0.00003439307],"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":[0.00008817789,0.00004565352,0.0001974756,0.0009293412,0.00002467393,0.00008715657,0.00009451648,0.000911749,0.002230303,0.3211776,0.3462042,0.3280092],"study_design_scores_gemma":[0.00001798993,0.0000461723,0.0002339538,0.0002142152,0.00001080611,0.0001212621,0.00003367272,0.0003226926,0.0007683298,0.07236531,0.9258602,0.000005359148],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.003881984,0.4100104,0.01873752,0.04720102,0.01079298,0.0001064267,0.0012248,0.0004919603,0.507553],"genre_scores_gemma":[0.1105115,0.4696298,0.02506323,0.0154968,0.009441792,0.0002290763,0.001466197,0.0002257888,0.3679358],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.0530987,"threshold_uncertainty_score":0.1776328,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006848080401995075,"score_gpt":0.2060081884409852,"score_spread":0.1991601080389901,"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."}}