{"id":"W2148703979","doi":"10.1139/v10-139","title":"Theoretical analysis of <i>trans</i>-[PtCl<sub>2</sub>(NH<sub>3</sub>)(thiazole)] and <i>trans</i>-[PtCl<sub>2</sub>(thiazole)<sub>2</sub>] binding to biological targets — Factors influence binding kinetics and adduct stability","year":2010,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Thiazole; Adduct; Trans effect; Ligand (biochemistry); Sulfur; Density functional theory; Platinum; Stereochemistry; Kinetics; Cis–trans isomerism; Binding energy; Computational chemistry; Medicinal chemistry; Crystallography; Catalysis; Organic chemistry; Crystal structure","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000237453,0.0004884583,0.0004520969,0.0005520883,0.0004763147,0.0003275915,0.0007748451,0.0007907565,0.006190346],"category_scores_gemma":[0.0005406953,0.0002715714,0.0004944925,0.0003123325,0.0004848826,0.0003755539,0.0002585666,0.0003543095,0.000496914],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009034705,"about_ca_system_score_gemma":0.000682961,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004933341,"about_ca_topic_score_gemma":0.004579375,"domain_scores_codex":[0.9998976,0.00001710619,0.000002791514,0.00001188905,0.00003730184,0.00003337163],"domain_scores_gemma":[0.9998066,0.0001094562,0.00002016209,0.00001231215,0.00003751273,0.00001398412],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002132686,0.00009623347,0.002482962,0.0005729763,0.00005397565,0.0005234926,0.0001735213,0.8687863,0.03701672,0.07748852,0.00168009,0.0109119],"study_design_scores_gemma":[0.00001616489,0.00004497997,0.0008222237,0.00001327214,0.00001579714,0.00006946169,0.00006047853,0.9883803,0.005874672,0.004122823,0.000570505,0.000009286791],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8607179,0.0008126132,0.07534237,0.0006855774,0.00005020148,0.0001041168,0.000853485,0.0003134955,0.06112026],"genre_scores_gemma":[0.9915658,0.0002483982,0.004964272,0.00006440369,0.000005559249,0.0001022326,0.0002902718,0.00005172392,0.0027073],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006190346,"threshold_uncertainty_score":0.0207088,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01941419745116085,"score_gpt":0.2256785786967928,"score_spread":0.2062643812456319,"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."}}