{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001929474,0.0002671157,0.0005208948,0.0001031473,0.0000582351,0.00002945646,0.0001258887,0.0001609172,0.0001450261],"category_scores_gemma":[0.001892607,0.0002312815,0.0001400399,0.0003326145,0.0002130082,0.0001767221,0.0001507308,0.0002303141,0.0000298864],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009382526,"about_ca_system_score_gemma":0.00009547561,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001029516,"about_ca_topic_score_gemma":0.000003393038,"domain_scores_codex":[0.9984921,0.00002523362,0.0004048918,0.0003825326,0.0003566239,0.0003386315],"domain_scores_gemma":[0.998455,0.0005372884,0.0002192836,0.0003407553,0.0001157066,0.0003318925],"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":[0.001460836,0.00213945,0.04972661,0.00357882,0.001496159,0.0004775944,0.004285427,0.000009098704,0.7750393,0.002743267,0.02800147,0.131042],"study_design_scores_gemma":[0.0006082133,0.00003568591,0.0001000882,0.0001366746,0.0001547125,0.00005846078,0.001843811,0.00005539165,0.9866867,0.0002642794,0.009754199,0.000301754],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9560259,0.002432787,0.0002224556,0.002300419,0.0001131919,0.0001055329,0.00007205199,0.0001592174,0.03856846],"genre_scores_gemma":[0.99756,0.000329556,0.001118702,0.00008110423,0.00034229,0.00003135498,0.00001105432,0.00003580374,0.0004901746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2116475,"threshold_uncertainty_score":0.9431387,"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."}}