{"id":"W1499862040","doi":"10.1002/9781118697191.ch1","title":"Introduction to Ligand Design in Medicinal Inorganic Chemistry","year":2014,"lang":"en","type":"other","venue":"","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"","keywords":"Limiting; Drug discovery; Nanotechnology; Chemistry; Drug; Combinatorial chemistry; Ligand (biochemistry); Computational biology; Pharmacology; Biochemistry; Materials science; Medicine; Biology; Engineering; Receptor","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":[0.0003826206,0.0008327822,0.0006530826,0.0007627317,0.0005981261,0.001497501,0.0009701184,0.00113042,0.03536859],"category_scores_gemma":[0.0004796887,0.0005526725,0.0004354018,0.001191277,0.0007828052,0.001502409,0.0009979036,0.002233464,0.0202902],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009772344,"about_ca_system_score_gemma":0.0004878878,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004306495,"about_ca_topic_score_gemma":0.0006806926,"domain_scores_codex":[0.9997229,0.00003930053,0.00001562991,0.00005417152,0.0001418147,0.0000261808],"domain_scores_gemma":[0.9998903,0.00004178327,0.00001041119,0.00001193563,0.00003151393,0.00001409863],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00006499505,0.0001367672,0.00008688412,0.002698628,0.00002371952,0.0002692786,0.0002548044,0.003286751,0.02039626,0.2349529,0.1909352,0.5468938],"study_design_scores_gemma":[0.000005277458,0.0000323567,0.00002383666,0.0001140063,0.000002513297,0.000243964,0.0000133631,0.0004966334,0.002902901,0.01337761,0.9827772,0.00001034708],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"methods","genre_scores_codex":[0.002822443,0.2631872,0.2068436,0.006962878,0.007232977,0.0003973136,0.001159372,0.002456732,0.5089375],"genre_scores_gemma":[0.03272442,0.3181638,0.1893352,0.007582316,0.003386203,0.0008368905,0.001313465,0.0008989019,0.4457589],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.03536859,"threshold_uncertainty_score":0.1183197,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02836749122232294,"score_gpt":0.2476851637023814,"score_spread":0.2193176724800584,"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."}}