{"id":"W4252698750","doi":"10.1002/ange.201501575","title":"Concise and Practical Asymmetric Synthesis of a Challenging Atropisomeric HIV Integrase Inhibitor","year":2015,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Axial and Atropisomeric Chirality Synthesis","field":"Chemistry","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Atropisomer; Integrase; Chemistry; Combinatorial chemistry; Integrase inhibitor; Sulfonamide; Acylation; Ligand (biochemistry); Enantioselective synthesis; Stereochemistry; Human immunodeficiency virus (HIV); Catalysis; Organic chemistry; Receptor; DNA; Biochemistry; Antiretroviral therapy; Biology; Virology","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":[0.0003576949,0.0007719256,0.0004181494,0.0003165573,0.0002698028,0.0004700049,0.0006444161,0.0004179774,0.003639419],"category_scores_gemma":[0.0002292585,0.0002515494,0.0002188009,0.0002654714,0.0002405417,0.0004562226,0.0004472069,0.001036619,0.001990398],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004336563,"about_ca_system_score_gemma":0.0009017793,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005035299,"about_ca_topic_score_gemma":0.001388011,"domain_scores_codex":[0.9997539,0.00003463482,0.00002413164,0.00004678803,0.00007573047,0.00006495769],"domain_scores_gemma":[0.9999156,0.000009394245,0.00002012769,0.00001463481,0.00001775888,0.00002247162],"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":[0.0001409589,0.0002439584,0.0001190353,0.0003110281,0.00003371627,0.000864542,0.00012797,0.002119955,0.961413,0.006653192,0.001749389,0.02622328],"study_design_scores_gemma":[0.00007543767,0.0004516227,0.0002259993,0.00001418104,0.0000280896,0.0004867493,0.00003073985,0.002294789,0.9738845,0.0004382252,0.02204597,0.00002353774],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7034824,0.004796937,0.1928697,0.001404688,0.0005502703,0.001238284,0.003259037,0.001394501,0.09100414],"genre_scores_gemma":[0.933265,0.004354099,0.0451212,0.0002134179,0.0001096314,0.0002252088,0.001094662,0.0001434653,0.01547325],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003639419,"threshold_uncertainty_score":0.01217508,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03458619336820414,"score_gpt":0.2653850189218228,"score_spread":0.2307988255536187,"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."}}