{"id":"W4380730502","doi":"10.1002/adma.202302178","title":"Molecular Structure and Conformational Design of Donor‐Acceptor Conjugated Polymers to Enable Predictable Optoelectronic Property","year":2023,"lang":"en","type":"article","venue":"Advanced Materials","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":39,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Oak Ridge National Laboratory; Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Office of Science; Government of Ontario; Office of Integrative Activities; U.S. Department of Energy; National Science Foundation","keywords":"Materials science; Band gap; Conjugated system; Acceptor; Polymer; Optoelectronics; Molecular orbital; HOMO/LUMO; Chemical physics; Molecule; Chemistry; Condensed matter physics; Physics","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":[0.0001103913,0.000236784,0.0001014051,0.0001723808,0.0001248288,0.0003241709,0.0001791991,0.0001970798,0.0008616828],"category_scores_gemma":[0.0001647166,0.0001657812,0.0001345667,0.0001625044,0.0001348336,0.0003548757,0.0001463838,0.0005248985,0.0002531346],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002327097,"about_ca_system_score_gemma":0.0002349214,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001359392,"about_ca_topic_score_gemma":0.0002471278,"domain_scores_codex":[0.9999585,0.000007258707,0.000004962903,0.00001102583,0.000007970624,0.00001022364],"domain_scores_gemma":[0.9999372,0.00001189585,0.00002086136,0.000009294354,0.000007324934,0.00001349319],"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":[0.00006284095,0.0000924728,0.0001961121,0.00005200143,0.00000489519,0.00005914987,0.00001547502,0.002929716,0.9872826,0.002802388,0.00005015467,0.006452104],"study_design_scores_gemma":[0.00004294154,0.0005778427,0.000979976,0.00001213613,0.00002087145,0.0001309364,0.0000216411,0.01426657,0.9792293,0.0006869631,0.004015868,0.00001491829],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9814298,0.0006791272,0.01434787,0.000132948,0.00002656057,0.00005561118,0.0001330841,0.00008363862,0.003111358],"genre_scores_gemma":[0.9862825,0.0006906586,0.01187485,0.00004700861,0.000006496055,0.00005972095,0.00009532929,0.00001835234,0.0009251187],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008616828,"threshold_uncertainty_score":0.0028826,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005042743464686722,"score_gpt":0.1976034813349099,"score_spread":0.1925607378702232,"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."}}