{"id":"https://openalex.org/W7225422737","doi":"https://doi.org/10.1038/s41598-026-78328-1","title":"Computational study and ranking of drugs for peyronie\u2019s disease using QSPR and MCDM techniques","display_name":"Computational study and ranking of drugs for peyronie\u2019s disease using QSPR and MCDM techniques","publication_year":2026,"publication_date":"2026-11-06","ids":{"openalex":"https://openalex.org/W7225422737","doi":"https://doi.org/10.1038/s41598-026-78328-1"},"language":"en","primary_location":{"id":"doi:10.1038/s41598-026-78328-1","doi":"https://doi.org/10.1038/s41598-026-78328-1","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-78328-1","pdf_url":"https://www.nature.com/articles/s41598-026-78328-1_reference.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.nature.com/articles/s41598-026-78328-1_reference.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5161051502","display_name":"K. L. Vasanth","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I81556334","display_name":"Amrita Vishwa Vidyapeetham","ror":"https://ror.org/03am10p12","country_code":"IN","type":"education","lineage":["https://openalex.org/I81556334"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"K. L. Vasanth","raw_affiliation_strings":["Department of Mathematics, Amrita School of Physical Sciences, Coimbatore, Tamil Nadu, 641112, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, Amrita School of Physical Sciences, Coimbatore, Tamil Nadu, 641112, India","institution_ids":["https://openalex.org/I81556334"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103590349","display_name":"Radha Rajamani Iyer","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I81556334","display_name":"Amrita Vishwa Vidyapeetham","ror":"https://ror.org/03am10p12","country_code":"IN","type":"education","lineage":["https://openalex.org/I81556334"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Radha Rajamani Iyer","raw_affiliation_strings":["Department of Mathematics, Amrita School of Physical Sciences, Coimbatore, Tamil Nadu, 641112, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, Amrita School of Physical Sciences, Coimbatore, Tamil Nadu, 641112, India","institution_ids":["https://openalex.org/I81556334"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5103590349"],"corresponding_institution_ids":["https://openalex.org/I81556334"],"apc_list":{"value":2690,"currency":"USD","value_usd":2690},"apc_paid":{"value":2690,"currency":"USD","value_usd":2690},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.5791000127792358,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.5791000127792358,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11476","display_name":"Graph theory and applications","score":0.4120999872684479,"subfield":{"id":"https://openalex.org/subfields/2607","display_name":"Discrete Mathematics and Combinatorics"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/1207","display_name":"History and Philosophy of Science"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/peyronie-s-disease","display_name":"Peyronie's disease","score":1.0},{"id":"https://openalex.org/keywords/drug-ranking","display_name":"drug ranking","score":0.9580000042915344},{"id":"https://openalex.org/keywords/quantitative-structure-property-relationship","display_name":"QSPR","score":0.8080000281333923},{"id":"https://openalex.org/keywords/multi-criteria-decision-making","display_name":"multi-criteria decision making","score":0.8740000128746033},{"id":"https://openalex.org/keywords/topological-indices","display_name":"topological indices","score":0.6859999895095825},{"id":"https://openalex.org/keywords/chemical-graph-theory","display_name":"chemical graph theory","score":0.7379999756813049},{"id":"https://openalex.org/keywords/physicochemical-properties","display_name":"physicochemical properties","score":0.7480000257492065},{"id":"https://openalex.org/keywords/molar-refractivity","display_name":"molar refractivity","score":0.8149999976158142},{"id":"https://openalex.org/keywords/polarizability","display_name":"polarizability","score":0.9470000267028809},{"id":"https://openalex.org/keywords/molecular-weight","display_name":"molecular weight","score":0.9800000190734863},{"id":"https://openalex.org/keywords/drug-comparison","display_name":"drug comparison","score":0.4000000059604645}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7788000106811523},{"id":"https://openalex.org/C183115368","wikidata":"https://www.wikidata.org/wiki/Q856577","display_name":"Weighting","level":2,"score":0.579200029373169},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.5212000012397766},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47699999809265137},{"id":"https://openalex.org/C27181475","wikidata":"https://www.wikidata.org/wiki/Q541014","display_name":"Cross-validation","level":2,"score":0.46380001306533813},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.4368000030517578},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4357999861240387},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4341999888420105},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.42419999837875366},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.4196000099182129},{"id":"https://openalex.org/C189430467","wikidata":"https://www.wikidata.org/wiki/Q7293293","display_name":"Ranking (information retrieval)","level":2,"score":0.41130000352859497},{"id":"https://openalex.org/C11105738","wikidata":"https://www.wikidata.org/wiki/Q1895805","display_name":"Multiple-criteria decision analysis","level":2,"score":0.4090999960899353},{"id":"https://openalex.org/C51566761","wikidata":"https://www.wikidata.org/wiki/Q1235853","display_name":"TOPSIS","level":2,"score":0.3971000015735626},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.38690000772476196},{"id":"https://openalex.org/C2780022179","wikidata":"https://www.wikidata.org/wiki/Q1986794","display_name":"Molecular graph","level":3,"score":0.38580000400543213},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3806000053882599},{"id":"https://openalex.org/C106192678","wikidata":"https://www.wikidata.org/wiki/Q1419761","display_name":"Collinearity","level":2,"score":0.3617999851703644},{"id":"https://openalex.org/C159744936","wikidata":"https://www.wikidata.org/wiki/Q1126730","display_name":"Spearman's rank correlation coefficient","level":2,"score":0.326200008392334},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.3255000114440918},{"id":"https://openalex.org/C117220453","wikidata":"https://www.wikidata.org/wiki/Q5172842","display_name":"Correlation","level":2,"score":0.31150001287460327},{"id":"https://openalex.org/C106301342","wikidata":"https://www.wikidata.org/wiki/Q4117933","display_name":"Entropy (arrow of time)","level":2,"score":0.30399999022483826},{"id":"https://openalex.org/C75553542","wikidata":"https://www.wikidata.org/wiki/Q178161","display_name":"A priori and a posteriori","level":2,"score":0.2797999978065491},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.2768999934196472},{"id":"https://openalex.org/C79337645","wikidata":"https://www.wikidata.org/wiki/Q779824","display_name":"Outlier","level":2,"score":0.27149999141693115},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.27070000767707825},{"id":"https://openalex.org/C197657726","wikidata":"https://www.wikidata.org/wiki/Q174733","display_name":"Bipartite graph","level":3,"score":0.26019999384880066},{"id":"https://openalex.org/C136886441","wikidata":"https://www.wikidata.org/wiki/Q926129","display_name":"Normalization (sociology)","level":2,"score":0.25440001487731934}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1038/s41598-026-78328-1","doi":"https://doi.org/10.1038/s41598-026-78328-1","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-78328-1","pdf_url":"https://www.nature.com/articles/s41598-026-78328-1_reference.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1038/s41598-026-78328-1","doi":"https://doi.org/10.1038/s41598-026-78328-1","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-026-78328-1","pdf_url":"https://www.nature.com/articles/s41598-026-78328-1_reference.pdf","source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Reports","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.8199999928474426,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320311327","display_name":"Amrita Vishwa Vidyapeetham University","ror":"https://ror.org/03am10p12"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225422737.pdf","grobid_xml":"https://content.openalex.org/works/W7225422737.grobid-xml"},"referenced_works_count":5,"referenced_works":["https://openalex.org/W2972403353","https://openalex.org/W3037422466","https://openalex.org/W4390674828","https://openalex.org/W4391756368","https://openalex.org/W7160130242"],"related_works":["https://openalex.org/W4410052621","https://openalex.org/W7151484167","https://openalex.org/W7213985946","https://openalex.org/W7131671825","https://openalex.org/W7161153932","https://openalex.org/W4411849530","https://openalex.org/W4388265832","https://openalex.org/W7125727993","https://openalex.org/W4406015487","https://openalex.org/W7170528450"],"abstract_inverted_index":{"Abstract":[0],"Peyronie\u2019s":[1,87],"disease,":[2],"a":[3,30,35,257],"connective":[4],"tissue":[5],"disease":[6],"with":[7,19,153,189],"fibrotic":[8],"plaque":[9],"formation":[10],"of":[11,29,32,39,86,120,139,183,193],"the":[12,27,84,93,116,121,160,173,213],"penile":[13,20],"tunica":[14],"albuginea,":[15],"is":[16,49],"often":[17],"associated":[18],"deformity,":[21],"pain,":[22],"and":[23,46,71,78,108,131,137,156,168,186,196,199,211,237,244,250,279],"erectile":[24],"dysfunction.":[25],"Despite":[26],"availability":[28],"number":[31],"therapy":[33],"agents,":[34],"comprehensive":[36],"comparative":[37],"evaluation":[38],"selected":[40,122],"therapeutic":[41,288],"agents":[42],"according":[43],"to":[44,76,204,219],"structural":[45],"physicochemical":[47,133,276],"features":[48],"still":[50],"limited.":[51],"In":[52],"this":[53],"study,":[54],"an":[55],"integrated":[56],"framework":[57,260],"has":[58],"been":[59],"developed":[60],"by":[61,240],"integrating":[62],"chemical":[63],"graph":[64,118],"theory,":[65],"Quantitative":[66],"Structure\u2013Property":[67],"Relationship":[68],"(QSPR)":[69],"modeling,":[70],"Multi-Criteria":[72],"Decision-Making":[73],"(MCDM)":[74],"techniques":[75,201],"analyze":[77],"rank":[79],"twenty":[80],"drugs":[81],"used":[82,218],"in":[83],"treatment":[85],"disease.":[88],"Five":[89],"degree-based":[90],"topological":[91],"descriptors,":[92],"second":[94],"Zagreb":[95],"(":[96],"$$M_2$$":[97],"),":[98],"Atom":[99],"Bond":[100],"Connectivity":[101],"(ABC),":[102],"Geometric":[103],"Arithmetic":[104],"(GA),":[105],"Sombor":[106],"(SO)":[107],"Nirmala":[109],"(NI)":[110],"indices":[111],"were":[112,144,202,225],"computed":[113],"based":[114,265,274],"on":[115,266,275],"molecular":[117,169,263],"representations":[119],"drugs.":[123],"Correlation":[124],"analysis":[125,243],"was":[126,217],"performed":[127,145],"between":[128],"these":[129],"descriptors":[130],"nine":[132],"properties.":[134,269],"Further":[135],"development":[136],"validation":[138],"Multiple":[140],"Linear":[141],"Regression":[142,152],"models":[143,179],"using":[146,227,247],"Leave-One-Out":[147],"Cross":[148],"Validation":[149],"(LOOCV),":[150],"Ridge":[151],"nested":[154],"LOOCV,":[155],"Y-randomization":[157],"testing.":[158],"Among":[159],"tested":[161],"properties,":[162],"molar":[163],"refractivity":[164],"(MR),":[165],"polarizability":[166],"(P),":[167],"weight":[170],"(MW)":[171],"demonstrated":[172],"most":[174],"consistent":[175],"QSPR":[176],"performance.":[177],"The":[178,222,254,270],"yielded":[180],"$$R^2$$":[181],"values":[182,192],"0.9733,":[184],"0.9829,":[185],"0.9768,":[187],"respectively,":[188],"LOOCV":[190],"$$Q^2$$":[191],"0.9435,":[194],"0.9547,":[195],"0.9500.":[197],"Entropy":[198],"CRITIC":[200],"employed":[203],"establish":[205],"criterion":[206],"weights":[207],"for":[208,261],"decision-making":[209],"analysis,":[210],"then":[212],"hybrid":[214],"weighting":[215],"approach":[216],"amalgamate":[220],"them.":[221],"medications":[223],"studied":[224],"ranked":[226],"five":[228],"MCDM":[229],"methods,":[230],"which":[231],"are":[232,273],"MARCOS,":[233],"VIKOR,":[234],"WASPAS,":[235],"TOPSIS":[236],"EDAS,":[238],"followed":[239],"Spearman":[241],"rank-correlation":[242],"consensus":[245],"aggregation":[246],"average":[248],"ranking":[249],"Borda":[251],"count":[252],"methods.":[253],"findings":[255],"show":[256],"repeatable":[258],"computational":[259],"comparing":[262],"compounds":[264],"certain":[267],"physical":[268],"obtained":[271],"rankings":[272],"profile":[277],"prioritizing":[278],"should":[280],"not":[281],"be":[282],"taken":[283],"as":[284],"clinical":[285],"efficacy":[286],"or":[287],"superiority.":[289]},"counts_by_year":[],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2026-11-07T00:00:00"}