{"id":"W2010908238","doi":"10.1107/s2053229615004295","title":"Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone","year":2015,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Structural Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Bentley (Canada); Dalhousie University","funders":"Universität Zürich; Dalhousie University","keywords":"Crystallography; Lattice energy; Chemistry; Hydrogen bond; Crystal twinning; Formula unit; Salt (chemistry); Enantiomer; Side chain; Crystal structure; Stereochemistry; Molecule; Organic chemistry","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":[0.0001553773,0.0002453932,0.0002665401,0.0001040096,0.0001572015,0.00002114048,0.0005288837,0.0002396895,0.0005641595],"category_scores_gemma":[0.0002160508,0.0001767132,0.0004253694,0.001003481,0.0003940833,0.0001556987,0.000210815,0.0006980514,4.276342e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001135032,"about_ca_system_score_gemma":0.000161487,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005257382,"about_ca_topic_score_gemma":0.0003752827,"domain_scores_codex":[0.9982914,0.0000547942,0.0005535578,0.0003442567,0.0005051804,0.0002508288],"domain_scores_gemma":[0.9984652,0.0001070088,0.0005190176,0.000610699,0.0001959317,0.0001020841],"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":[0.0001232372,0.00003323596,0.02686068,0.0001401449,0.00007991977,0.000001377182,0.0004238441,0.0001625111,0.9717236,0.00001492761,0.0003987823,0.00003770231],"study_design_scores_gemma":[0.001252141,0.00001409158,0.02150823,0.000310506,0.00007897886,0.0001372579,0.001732218,0.0002400224,0.9660235,0.001418278,0.006975704,0.0003090907],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942824,0.0001312859,0.000005036606,0.0003407451,0.0003574998,0.0001081533,0.00006372353,0.00003376265,0.004677373],"genre_scores_gemma":[0.9992041,0.00001014508,0.00003889,0.00005409708,0.0001259308,0.00001629548,0.00004789863,0.00002187394,0.0004807421],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006576922,"threshold_uncertainty_score":0.7206156,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009987921833491226,"score_gpt":0.2222615322842299,"score_spread":0.2122736104507386,"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."}}