{"id":"W2313167765","doi":"10.1021/jm201564u","title":"Discovery of<i>cis</i>-<i>N</i>-(1-(4-(Methylamino)cyclohexyl)indolin-6-yl)thiophene-2-carboximidamide: A 1,6-Disubstituted Indoline Derivative as a Highly Selective Inhibitor of Human Neuronal Nitric Oxide Synthase (nNOS) without Any Cardiovascular Liabilities","year":2011,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Nitric Oxide and Endothelin Effects","field":"Medicine","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"NeurAxon (Canada)","funders":"","keywords":"Chemistry; Indoline; Thiophene; Derivative (finance); Stereochemistry; Chemical synthesis; Combinatorial chemistry; Organic chemistry; In vitro; Biochemistry","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":[0.000118449,0.0002678385,0.0002156211,0.00009333265,0.00008997383,0.0001757002,0.0003082714,0.0001912505,0.0007443459],"category_scores_gemma":[0.00009283168,0.0001043205,0.0001490154,0.00007283058,0.000131444,0.0002001865,0.0001420647,0.0002857205,0.0002807166],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001548155,"about_ca_system_score_gemma":0.0002152014,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003002371,"about_ca_topic_score_gemma":0.0007696804,"domain_scores_codex":[0.9999524,0.000009950298,0.000004103019,0.00001148589,0.00001151832,0.00001055971],"domain_scores_gemma":[0.9999578,0.000003618918,0.00001187977,0.00000408089,0.00001176926,0.00001073112],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001528165,0.00004710651,0.0001044932,0.0001403607,0.00001184649,0.0001327713,0.00002821095,0.0003139223,0.9906231,0.0005253104,0.0002165334,0.007703613],"study_design_scores_gemma":[0.00004925445,0.001225576,0.0006002922,0.00001113587,0.00002828291,0.0005023063,0.00001726379,0.0007584013,0.9894698,0.00008858238,0.007236864,0.00001222819],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9578222,0.007800034,0.01784409,0.0003036147,0.0001293173,0.0001964315,0.0005069851,0.0002074196,0.0151898],"genre_scores_gemma":[0.9851128,0.003399489,0.007862678,0.0001379174,0.00001943086,0.00004982158,0.0004208761,0.00002065389,0.002976336],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007443459,"threshold_uncertainty_score":0.002490103,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01951640315591072,"score_gpt":0.256836096104448,"score_spread":0.2373196929485372,"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."}}