{"id":"W1988625409","doi":"10.1021/cg049765z","title":"Polymorphism and Structure in a Pentamorphic Guest−Host Material:  The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","year":2004,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Crystallography; Chemistry; Molecule; Stacking; Powder diffraction; Polymorphism (computer science); Crystal structure; Diffraction; Single crystal; Tris; Stereochemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006134231,0.0001374057,0.0001406562,0.0002183497,0.0001562162,0.0002882108,0.0001768765,0.0001766523,0.0007208872],"category_scores_gemma":[0.0001269112,0.0001678535,0.00008973024,0.0002080866,0.0002369197,0.0001831115,0.0001573051,0.0002289858,0.0001288461],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001702342,"about_ca_system_score_gemma":0.0001278606,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005536708,"about_ca_topic_score_gemma":0.0009875016,"domain_scores_codex":[0.9999269,0.000008157441,0.000006187723,0.00001830355,0.00002749245,0.00001286595],"domain_scores_gemma":[0.9999146,0.00001604767,0.00002841224,0.00001153272,0.0000132743,0.00001613634],"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":[0.0000434416,0.000006316121,0.0002703801,0.00001841448,0.000002405422,0.00006195188,0.00002864742,0.00006414799,0.998865,0.00004033958,0.000007062847,0.0005918504],"study_design_scores_gemma":[0.00001136376,0.0002364778,0.00567306,0.000003691989,0.0000124118,0.0003374637,0.00005149733,0.0008301006,0.9919899,0.00001916345,0.0008290143,0.000005914564],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9990625,0.0001543939,0.0003882626,0.00001050637,0.00000208646,0.000006020079,0.00004671556,0.00001488382,0.0003147113],"genre_scores_gemma":[0.9974591,0.0001156645,0.001544889,0.00000924129,0.000001950214,0.00001068005,0.0001526146,0.00001472086,0.0006912092],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007208872,"threshold_uncertainty_score":0.002411604,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01053851192298746,"score_gpt":0.2168519117329216,"score_spread":0.2063133998099342,"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."}}