{"id":"W2046249061","doi":"10.1016/j.bmc.2013.01.043","title":"Enantiomer and conformer recognition of (+) and (−)-disparlure and their analogs by the pheromone binding proteins of the gypsy moth, Lymantria dispar","year":2013,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Insect Pheromone Research and Control","field":"Agricultural and Biological Sciences","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Chemistry; Lymantria dispar; Enantiomer; Stereochemistry; Conformational isomerism; Docking (animal); Enantiopure drug; Pheromone; Dihedral angle; Chirality (physics); Biochemistry; Enantioselective synthesis; Organic chemistry; Botany; Biology; Molecule","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002253702,0.0001223,0.0001871148,0.000004190509,0.0001480508,0.0000247197,0.0001503637,0.00008908795,0.0003749086],"category_scores_gemma":[0.0000947034,0.00003374856,0.00003349109,0.0001650694,0.0004235567,0.00006628035,0.00007572254,0.0001410393,0.000001329518],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007433463,"about_ca_system_score_gemma":0.00001377524,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006405226,"about_ca_topic_score_gemma":0.00003653973,"domain_scores_codex":[0.9992123,0.00004301171,0.0001921561,0.0001676931,0.0001825225,0.0002022741],"domain_scores_gemma":[0.9995043,0.0001339144,0.0001358101,0.00006564596,0.00006872237,0.00009157902],"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":[0.00002075164,0.00002430679,0.002453745,0.00004322804,0.00002713643,2.095214e-7,0.00009560651,1.603608e-9,0.9723392,0.00000336584,0.0002772479,0.0247152],"study_design_scores_gemma":[0.0004450046,0.0001363185,0.04220836,0.0001083634,0.00002645872,0.00003533563,0.001862406,0.00002690678,0.9547583,0.0001626197,0.0001322605,0.00009764857],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956468,0.001871851,0.000001417201,0.001823826,0.00001029493,0.0003280437,0.00006776771,0.000006490541,0.0002434633],"genre_scores_gemma":[0.9993184,0.0003730195,0.000002900381,0.00004717632,0.0000806047,0.00001928759,0.00001734484,0.000001366089,0.000139859],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03975461,"threshold_uncertainty_score":0.4104986,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009454653360905337,"score_gpt":0.1836984455141211,"score_spread":0.1742437921532158,"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."}}