{"meta":{"query_hash":"6cf4aea5d327","filters":{"venue":"Journal of the Indian Chemical Society"},"cohort_total":10,"direct_labels_cover":0,"predictions_cover":10,"exported":10,"export_cap":100000,"truncated":false,"label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12"},"permalink":"https://metacan.xera.ac/q/6cf4aea5d327","api":"https://metacan.xera.ac/api/v1/cohort?venue=Journal+of+the+Indian+Chemical+Society"},"results":[{"id":"W4285602032","doi":"10.1016/j.jics.2022.100647","title":"Hydrothermal processing of waste pine wood into industrially useful products","year":2022,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Subcritical and Supercritical Water Processes","field":"Engineering","cited_by":10,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Saskatchewan","funders":"University Grants Commission","keywords":"Biochar; Heat of combustion; Chemistry; Raw material; Pulp and paper industry; Hydrothermal liquefaction; Hemicellulose; Bioenergy; Cellulose; Lignin; Yield (engineering); Pyrolysis; Biofuel; Waste management; Organic chemistry; Combustion; Materials science","score_opus":0.01107302473455926,"score_gpt":0.20419407385467886,"score_spread":0.1931210491201196,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4285602032","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99607366,0.0005643437,0.00004557027,0.0028160317,0.00027794956,0.000080070684,0.000007580104,0.000021570182,0.00011324224],"genre_scores_gemma":[0.99847066,0.000010691201,0.00072599057,0.00023728471,0.0004973374,0.000005311732,9.743957e-7,0.000025731473,0.000026041545],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99862057,0.000035711895,0.0004875516,0.000102923805,0.0004977603,0.0002554797],"domain_scores_gemma":[0.9995056,0.00006268919,0.000058234982,0.00013030798,0.00013424046,0.00010897702],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00033363965,0.00013097681,0.00027588787,0.000022396252,0.00011716763,0.000026913694,0.0005304852,0.000090147034,0.00009056606],"category_scores_gemma":[0.00021536663,0.00009084475,0.0002426229,0.00040569168,0.0001386118,0.00015995034,0.00015921837,0.000897346,8.407454e-7],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000047169455,0.0002249292,0.0004966325,0.00077501155,0.00014688469,0.000016356176,0.0055256286,0.0014502065,0.9834352,0.000030520023,0.0042840242,0.0035673948],"study_design_scores_gemma":[0.00065219426,0.000068729874,0.00003644056,0.00011553935,0.000050707135,0.000120357545,0.0014357856,0.0005655488,0.993315,0.0012279678,0.0022391435,0.0001726158],"about_ca_topic_score_codex":0.0000027362476,"about_ca_topic_score_gemma":1.7171838e-7,"teacher_disagreement_score":0.009879728,"about_ca_system_score_codex":0.00014181001,"about_ca_system_score_gemma":0.00013784677,"threshold_uncertainty_score":0.38985717},"labels":[],"label_agreement":null},{"id":"W4381618882","doi":"10.1016/j.jics.2023.101053","title":"In-silico design of some pyrazolopyridine analogs as breast cancer inhibitors: QSAR modeling, molecular docking, MD simulation, and pharmacological features profiling","year":2023,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":8,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Calgary","funders":"Ahmadu Bello University","keywords":"Chemistry; Quantitative structure–activity relationship; Docking (animal); In silico; Correlation coefficient; Stereochemistry; Ligand (biochemistry); Computational chemistry; Biochemistry; Receptor; Machine learning","score_opus":0.02620619755240582,"score_gpt":0.3398258691200686,"score_spread":0.3136196715676628,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4381618882","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97807115,0.00045325645,0.017195053,0.0038672793,0.00023052124,0.00015668073,0.000005583126,0.00001767931,0.0000027956432],"genre_scores_gemma":[0.9901183,0.00012665591,0.008821111,0.00068353896,0.00023237389,0.0000044027706,6.281371e-7,0.0000099864155,0.0000030007386],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99833304,0.00016919518,0.0004904471,0.00022479636,0.0005381655,0.000244342],"domain_scores_gemma":[0.9987662,0.00045066868,0.00034802457,0.00013446985,0.00019517672,0.00010548992],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0010773387,0.0001481177,0.00027591505,0.00008163558,0.00007269605,0.000059529128,0.0006523929,0.00012773104,0.000004979727],"category_scores_gemma":[0.00019014269,0.000104642444,0.00024595988,0.00076731545,0.00010590586,0.00044203343,0.00036170633,0.00050332514,6.12598e-7],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00002514367,0.00004654741,0.00055282126,0.000021805943,0.00006437791,0.000017908218,0.0008592567,0.8821876,0.1148544,0.00024717965,0.0006134891,0.00050945475],"study_design_scores_gemma":[0.0004966418,0.00002295005,0.0006372241,0.00008531967,0.00002277354,0.00006950663,0.000059054648,0.8463788,0.13316923,0.018929426,0.000009303376,0.000119739736],"about_ca_topic_score_codex":0.000016308597,"about_ca_topic_score_gemma":1.8774786e-7,"teacher_disagreement_score":0.03580879,"about_ca_system_score_codex":0.00016004404,"about_ca_system_score_gemma":0.00027531706,"threshold_uncertainty_score":0.42671952},"labels":[],"label_agreement":null},{"id":"W4387867746","doi":"10.1016/j.jics.2023.101106","title":"Potential of cellulose from wood waste for immobilization Saccharomyces cerevisiae in bioethanol production","year":2023,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Biofuel production and bioconversion","field":"Engineering","cited_by":18,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université de Sherbrooke","funders":"Kementerian Riset Teknologi Dan Pendidikan Tinggi Republik Indonesia","keywords":"Cellulose; Chemistry; Lignin; Fermentation; Biofuel; Microcrystalline cellulose; Leaching (pedology); Pulp and paper industry; Yeast; Chemical engineering; Food science; Waste management; Organic chemistry; Biochemistry; Biology","score_opus":0.010314084401431122,"score_gpt":0.21480092157881156,"score_spread":0.20448683717738045,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4387867746","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99719673,0.00016626265,0.000080038044,0.0013409127,0.0010222663,0.00015662446,0.000012878013,0.000020662723,0.0000036169233],"genre_scores_gemma":[0.99870366,0.00022055005,0.00041582785,0.000016748865,0.00058106566,0.0000020983496,0.00000880432,0.000011726408,0.000039539354],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99931115,0.0000150936985,0.00030865063,0.00009073953,0.0001601902,0.00011415013],"domain_scores_gemma":[0.99963784,0.000019591904,0.0001496673,0.0000995973,0.000061208346,0.000032067608],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00023621562,0.00007565935,0.00014098431,0.000039084367,0.000023487348,0.000010204904,0.00015479076,0.00012646255,0.000018191697],"category_scores_gemma":[0.0000461571,0.000054422977,0.00024208012,0.00032957294,0.00004279013,0.00010460397,0.000028009788,0.00019399893,0.0000023100993],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00001989117,0.000026238493,0.00028271507,0.00021101885,0.0000403035,3.387129e-7,0.00076665037,0.0009159692,0.98950475,6.466464e-7,0.007393658,0.00083780923],"study_design_scores_gemma":[0.00038576688,0.000015917083,0.00036742995,0.00008600291,0.000027645536,0.000004693281,0.0009200846,0.002438732,0.9948676,0.00023727099,0.00058330497,0.00006555821],"about_ca_topic_score_codex":0.000005343695,"about_ca_topic_score_gemma":3.2809297e-7,"teacher_disagreement_score":0.006810353,"about_ca_system_score_codex":0.00008100528,"about_ca_system_score_gemma":0.000019926896,"threshold_uncertainty_score":0.22193046},"labels":[],"label_agreement":null},{"id":"W4398165063","doi":"10.1016/j.jics.2024.101185","title":"Physical and chemical properties of cassava starch biopolymer reinforced with coconut fiber and/or metakaolin","year":2024,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Natural Fiber Reinforced Composites","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":false,"route_ca_aff":false,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"","funders":"Agence Universitaire de la Francophonie","keywords":"Chemistry; Metakaolin; Biopolymer; Starch; Fiber; Polymer science; Food science; Pulp and paper industry; Chemical engineering; Organic chemistry; Polymer","score_opus":0.014332789757476679,"score_gpt":0.2433885781179788,"score_spread":0.2290557883605021,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4398165063","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9976932,0.0010064234,0.000004400912,0.0010463948,0.00007051103,0.00012775284,0.00000994104,0.000015664811,0.00002571377],"genre_scores_gemma":[0.99785453,0.000027192771,0.0014784427,0.00010996175,0.00020337396,0.0000026216303,4.9959766e-7,0.000016886375,0.00030650327],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9987549,0.000029485145,0.00036050906,0.00016715917,0.0004528272,0.00023509059],"domain_scores_gemma":[0.9992648,0.00016509695,0.0001857293,0.00015402178,0.000097316115,0.00013308194],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002324967,0.00017284704,0.0003640672,0.000023571383,0.00005947995,0.000110139714,0.0003112977,0.00011207469,0.000055951095],"category_scores_gemma":[0.000058829053,0.00007829478,0.00020912381,0.00019662188,0.00061899866,0.00025707224,0.00020127301,0.0004760457,0.0000033489366],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00023161301,0.000010318834,0.0000121788835,0.00021494033,0.00009768381,0.000009262891,0.0025168173,0.000006328359,0.9963462,0.000051071784,0.00026555662,0.00023804794],"study_design_scores_gemma":[0.00036416185,0.0001125429,0.000006952284,0.00038858905,0.00009639599,0.0004977348,0.00017641824,0.0003946261,0.9975361,0.00007857801,0.00022030943,0.00012758338],"about_ca_topic_score_codex":0.000019668028,"about_ca_topic_score_gemma":2.3883064e-7,"teacher_disagreement_score":0.0023403992,"about_ca_system_score_codex":0.000069608606,"about_ca_system_score_gemma":0.00014910281,"threshold_uncertainty_score":0.31927687},"labels":[],"label_agreement":null},{"id":"W4402315477","doi":"10.1016/j.jics.2024.101347","title":"DFT and molecular docking studies of 10-hydroxylstrictosamide from methanol leaves extract of Sarcocephallus latifolius (Smith, Bruce)","year":2024,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Bioactive Compounds and Antitumor Agents","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Regina","funders":"Aalborg Universitet; Association of Arab Universities","keywords":"Chemistry; Methanol; Docking (animal); Stereochemistry; Computational chemistry; Organic chemistry","score_opus":0.1012638268708658,"score_gpt":0.42355949570385354,"score_spread":0.32229566883298777,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4402315477","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.97531426,0.02285907,0.00003233396,0.000980513,0.00054163573,0.00008357224,0.00006043498,0.000007842657,0.000120345656],"genre_scores_gemma":[0.9969199,0.0020208454,0.0005130844,0.00025483183,0.00022542285,9.095448e-7,9.815697e-7,0.000015072406,0.000048987295],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99870753,0.00015864024,0.00053024886,0.00015343851,0.00024971474,0.00020041327],"domain_scores_gemma":[0.99853337,0.0007036097,0.0004231988,0.000107000626,0.00013034808,0.00010245521],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005012735,0.00016677933,0.00043241854,0.000039230126,0.00007841267,0.00001776528,0.00031860033,0.0002181518,0.00011118764],"category_scores_gemma":[0.00014031322,0.00011120293,0.000502387,0.00020700521,0.0004809595,0.000103318955,0.0001748099,0.00079891685,0.0000013009297],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00007725867,0.00013026047,0.005144337,0.0002431245,0.0021423926,0.00006235234,0.003628602,0.00004624311,0.9818146,0.000046307337,0.0027403205,0.0039241794],"study_design_scores_gemma":[0.0006487981,0.000056366578,0.0016565701,0.00030990897,0.00047894736,0.00006498999,0.000805897,0.0004297378,0.9894338,0.0020771862,0.0039117457,0.0001260022],"about_ca_topic_score_codex":0.000010502349,"about_ca_topic_score_gemma":6.1003635e-7,"teacher_disagreement_score":0.021605615,"about_ca_system_score_codex":0.00007900791,"about_ca_system_score_gemma":0.00010420801,"threshold_uncertainty_score":0.45347238},"labels":[],"label_agreement":null},{"id":"W4403283158","doi":"10.1016/j.jics.2024.101403","title":"In silico identification and virtual screening to discover potent therapeutic phytochemicals against CMT2A","year":2024,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Hereditary Neurological Disorders","field":"Neuroscience","cited_by":4,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval","funders":"King Saud University","keywords":"In silico; Chemistry; Identification (biology); Virtual screening; Computational biology; Biochemistry; Drug discovery; Gene; Ecology","score_opus":0.020963401419951153,"score_gpt":0.2730753820867917,"score_spread":0.25211198066684054,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4403283158","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9846402,0.00013219833,0.00017441146,0.014519513,0.00030537386,0.00016144224,0.000010403964,0.00001471075,0.000041790205],"genre_scores_gemma":[0.991012,0.00007135195,0.00007057655,0.008565333,0.0001887022,0.00000464099,3.3729e-7,0.000015498106,0.000071601164],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9985459,0.000090198,0.00041899763,0.0002762884,0.00041498523,0.0002536495],"domain_scores_gemma":[0.99919647,0.00038316412,0.000106063686,0.00015495699,0.000019304623,0.00014001728],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00032627326,0.00013431,0.00017807783,0.00003636256,0.000063434425,0.00012510555,0.0004404961,0.00011266968,0.000016801381],"category_scores_gemma":[0.0005821624,0.00008572118,0.00026079157,0.00045768602,0.00016907943,0.0002905019,0.00015485034,0.00069681724,0.000010034738],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000022801487,0.000054052573,0.0002625921,0.00001516381,0.00001076937,0.000024285715,0.0010626354,0.00012550323,0.9924518,0.000046689114,0.0025332298,0.003390506],"study_design_scores_gemma":[0.0004022992,0.00008641395,0.005313418,0.00015472947,0.000022708273,0.00010632165,0.00041091055,0.0012077963,0.9871028,0.0021769034,0.0028047182,0.00021095469],"about_ca_topic_score_codex":0.0000023639907,"about_ca_topic_score_gemma":5.3970405e-7,"teacher_disagreement_score":0.0063718017,"about_ca_system_score_codex":0.0000922126,"about_ca_system_score_gemma":0.000051444542,"threshold_uncertainty_score":0.34956083},"labels":[],"label_agreement":null},{"id":"W4407240653","doi":"10.1016/j.jics.2025.101617","title":"Magnetic nanoparticles: Biosynthesis, characterization, surface functionalization and biomedical applications","year":2025,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Nanoparticle-Based Drug Delivery","field":"Materials Science","cited_by":9,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Memorial University of Newfoundland","funders":"King Faisal University","keywords":"Chemistry; Surface modification; Characterization (materials science); Nanotechnology; Nanoparticle; Biosynthesis; Magnetic nanoparticles; Biochemistry; Enzyme; Physical chemistry","score_opus":0.005281913384989841,"score_gpt":0.21205459017253328,"score_spread":0.20677267678754344,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4407240653","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.99246603,0.00023716786,0.0015761093,0.005321034,0.00021890701,0.0001347206,0.000019526764,0.000016688171,0.0000098404125],"genre_scores_gemma":[0.99769014,0.000049062623,0.0011701704,0.0008507893,0.00012271722,0.0000055263386,0.0000035313278,0.0000071850395,0.0001008857],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99894416,0.00006274893,0.00039796132,0.0001364393,0.00029605956,0.00016264363],"domain_scores_gemma":[0.9992068,0.00015311947,0.00022265219,0.00016505666,0.00015503184,0.000097356045],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004171004,0.000089840694,0.00014424298,0.00002165881,0.00016324228,0.00007012647,0.00026248398,0.00009215399,0.000111029585],"category_scores_gemma":[0.00012085138,0.00006300226,0.00011028998,0.00043073294,0.00028882438,0.00014515778,0.00008972526,0.00012796171,0.000013142695],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000014252281,0.000099555036,0.0015098111,0.00002967983,0.000012556848,4.38414e-7,0.00018587842,0.000010870239,0.99599695,0.00012577797,0.0013242684,0.0006899413],"study_design_scores_gemma":[0.00035162494,0.0000176389,0.0026052352,0.00006404489,0.000056682627,0.000020753676,0.00013769614,0.00016585064,0.9892446,0.00052951055,0.0067314333,0.00007492799],"about_ca_topic_score_codex":0.000002465078,"about_ca_topic_score_gemma":2.4560018e-7,"teacher_disagreement_score":0.006752369,"about_ca_system_score_codex":0.00010472722,"about_ca_system_score_gemma":0.0001685851,"threshold_uncertainty_score":0.25691578},"labels":[],"label_agreement":null},{"id":"W4413446683","doi":"10.1016/j.jics.2025.102008","title":"Machine learning-assisted in silico discovery of PDE10A Inhibitors: Integration of QSAR modeling, docking and MD simulations","year":2025,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":1,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Alberta","funders":"Babasaheb Bhimrao Ambedkar University; Science and Engineering Research Board; Canadian Institutes of Health Research; University of Alberta","keywords":"Quantitative structure–activity relationship; Chemistry; In silico; Docking (animal); Computational biology; Stereochemistry; Biochemistry","score_opus":0.01683032387487916,"score_gpt":0.2932262405168846,"score_spread":0.27639591664200547,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4413446683","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.887667,0.000254705,0.11101312,0.00085801585,0.00011610713,0.00006248161,0.0000038891008,0.0000040714576,0.000020596071],"genre_scores_gemma":[0.9851104,0.000029896792,0.014737593,0.000070507434,0.000035477504,5.3029385e-7,0.0000013741532,0.0000039053307,0.000010314672],"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","domain_scores_codex":[0.99870396,0.0001511602,0.0006115081,0.00012461208,0.00030548402,0.00010326823],"domain_scores_gemma":[0.99867344,0.0005473476,0.0004457267,0.00014445622,0.00015924464,0.00002978844],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006442104,0.00009307759,0.00024074163,0.00008598699,0.000052539726,0.00005007028,0.0004197008,0.000080015816,9.0674786e-7],"category_scores_gemma":[0.00054615433,0.00006771125,0.00023501761,0.0006220541,0.00007696581,0.00044467393,0.00025610338,0.0004432386,3.5412988e-8],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00003284285,0.00021127312,0.01840635,0.00010390891,0.00010056648,0.0000012983833,0.0049528345,0.76220703,0.20231079,0.002059595,0.00009432088,0.009519216],"study_design_scores_gemma":[0.00045187154,0.000021577107,0.003537383,0.00039609056,0.00001725663,0.000007821894,0.00013933526,0.9212755,0.06138672,0.012680664,0.000016040081,0.00006971821],"about_ca_topic_score_codex":0.00005437487,"about_ca_topic_score_gemma":0.000010707849,"teacher_disagreement_score":0.15906851,"about_ca_system_score_codex":0.00013650589,"about_ca_system_score_gemma":0.00021155908,"threshold_uncertainty_score":0.27611843},"labels":[],"label_agreement":null},{"id":"W4414077870","doi":"10.1016/j.jics.2025.102097","title":"Encapsulation of MOF-808 with Keggin-type SiW12 polyoxometalate for highly efficient catalytic oxidative desulfurization","year":2025,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Catalysis and Hydrodesulfurization Studies","field":"Engineering","cited_by":3,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Western University","funders":"Yayasan UTP; Universiti Teknologi Petronas","keywords":"Dibenzothiophene; Polyoxometalate; Flue-gas desulfurization; Catalysis; Benzothiophene; Reusability; Mesoporous material","score_opus":0.005677765187521475,"score_gpt":0.21329661956907223,"score_spread":0.20761885438155075,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4414077870","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.98751247,0.00034435975,0.011289263,0.00034967336,0.00020163585,0.00016479255,0.000017833154,0.000016792155,0.000103162216],"genre_scores_gemma":[0.99877304,0.000042844295,0.00097427866,0.0000424194,0.00006256554,0.0000028200589,0.0000102650665,0.000012761727,0.0000789827],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99915105,0.000009611399,0.00040052063,0.000085314845,0.00022239656,0.00013112593],"domain_scores_gemma":[0.9992022,0.00010225385,0.00024795282,0.00013248762,0.00027938138,0.000035744928],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00019393182,0.000114091985,0.00026237985,0.000055603483,0.00007781751,0.000019682626,0.00016526984,0.000072354895,0.0000032223732],"category_scores_gemma":[0.00008501852,0.00007512789,0.00024325417,0.0006532307,0.000081545135,0.00007290072,0.00003391547,0.00013826821,5.428018e-7],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00009684557,0.00012744739,0.0011915746,0.00037925036,0.0014118319,6.506219e-7,0.005020283,0.20527464,0.78249323,0.00024463714,0.0025448415,0.0012147847],"study_design_scores_gemma":[0.00093411625,0.000037105692,0.0021435942,0.00020507224,0.0003226396,0.0000059491317,0.00042399685,0.018093055,0.97688174,0.00023987472,0.0005724131,0.00014041681],"about_ca_topic_score_codex":0.0000019878835,"about_ca_topic_score_gemma":8.268469e-7,"teacher_disagreement_score":0.19438855,"about_ca_system_score_codex":0.00014188106,"about_ca_system_score_gemma":0.000058336274,"threshold_uncertainty_score":0.30636266},"labels":[],"label_agreement":null},{"id":"W4415184516","doi":"10.1016/j.jics.2025.102191","title":"Sulfur-rich hydrochar material with mesoporous surface from pulasan peel via hydrothermal process for methylene blue dye removal: Factorial optimization by response surface methodology","year":2025,"lang":"en","type":"article","venue":"Journal of the Indian Chemical Society","topic":"Adsorption and biosorption for pollutant removal","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":false,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Saskatchewan","funders":"Universiti Teknologi MARA; Research Management Centre, International Islamic University Malaysia; King Saud University","keywords":"Methylene blue; Adsorption; Mesoporous material; Cationic polymerization; Hydrothermal circulation; Response surface methodology; Langmuir adsorption model","score_opus":0.01362319526473299,"score_gpt":0.2619110754038461,"score_spread":0.24828788013911313,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W4415184516","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"codex-gemma-dda1882f352a","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9794952,0.000041510524,0.016746545,0.0024003745,0.00071741606,0.00036239278,0.00018276407,0.00002755329,0.000026210586],"genre_scores_gemma":[0.9651164,0.000015908963,0.03349419,0.0004884665,0.00022533498,0.0000028186714,0.000022976463,0.000032292817,0.0006016099],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.997765,0.0003782352,0.00058717467,0.00033398613,0.00056609925,0.00036951093],"domain_scores_gemma":[0.99856436,0.00034522451,0.0006406248,0.00023421414,0.00006262709,0.00015294914],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0012556727,0.0002702233,0.00043160532,0.00001609769,0.00020921274,0.000057102017,0.00062754285,0.00037106275,0.000533087],"category_scores_gemma":[0.00018549831,0.00017724161,0.00033502036,0.0003688665,0.00031432186,0.00022553807,0.00012858487,0.00040741227,0.0000051767706],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.0027568913,0.00010552508,0.0004540564,0.000010685907,0.00014402039,0.0000040797554,0.0009717472,0.016522096,0.975386,0.000002090003,0.0034929703,0.00014979557],"study_design_scores_gemma":[0.0018767745,0.00012258068,0.00018008813,0.000034899986,0.00012304896,0.000093123606,0.0003531197,0.002712565,0.99074864,0.00032888283,0.0031709278,0.00025536751],"about_ca_topic_score_codex":0.00008304657,"about_ca_topic_score_gemma":0.0000058518012,"teacher_disagreement_score":0.016747642,"about_ca_system_score_codex":0.00046978463,"about_ca_system_score_gemma":0.00011026992,"threshold_uncertainty_score":0.72277033},"labels":[],"label_agreement":null}]}