{"id":"W3135118388","doi":"10.3390/molecules26051272","title":"Synthesis of Highly Potent Anti-Inflammatory Compounds (ROS Inhibitors) from Isonicotinic Acid","year":2021,"lang":"en","type":"article","venue":"Molecules","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Lakehead University","funders":"Vetenskapsrådet","keywords":"Isonicotinic acid; Chemistry; Ibuprofen; In vitro; Combinatorial chemistry; IC50; Docking (animal); Anti-inflammatory; Drug; Stereochemistry; Pharmacology; Biochemistry; Organic chemistry; Biology; Medicine; Hydrazide","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":[0.0001195882,0.0005498289,0.0003387556,0.0004387223,0.0001205179,0.0002164877,0.0003206191,0.0002980863,0.00171508],"category_scores_gemma":[0.0001030043,0.0001532232,0.0003120477,0.0003021934,0.0001114773,0.000365859,0.0002908585,0.0004344582,0.0007398817],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001776298,"about_ca_system_score_gemma":0.0003479075,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002535284,"about_ca_topic_score_gemma":0.0008038817,"domain_scores_codex":[0.9999287,0.00001281104,0.000008337105,0.00001124792,0.00001540066,0.00002355673],"domain_scores_gemma":[0.9999563,0.000003224461,0.00001403294,0.000003445335,0.00001063741,0.00001246085],"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":[0.0001790532,0.0001462886,0.0001456205,0.0006457265,0.00002817796,0.0004083769,0.0000551126,0.001129028,0.97529,0.001584398,0.0003137496,0.02007452],"study_design_scores_gemma":[0.000104173,0.001921648,0.001705914,0.00007396654,0.00007038605,0.0007026872,0.00005211781,0.001302198,0.9622791,0.0006025042,0.0311408,0.00004448389],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8696513,0.02676111,0.07152938,0.0006941389,0.0003084985,0.0006917695,0.002338199,0.0006152347,0.02741026],"genre_scores_gemma":[0.9579899,0.0111323,0.02362342,0.000199743,0.00004126113,0.0002004037,0.001211932,0.00003628453,0.00556479],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00171508,"threshold_uncertainty_score":0.005737543,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01155338656468655,"score_gpt":0.2088633131021623,"score_spread":0.1973099265374758,"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."}}