{"id":"https://openalex.org/W4409291680","doi":"https://doi.org/10.1021/acs.jcim.4c02372","title":"PoseidonQ: A Free Machine Learning Platform for the Development, Analysis, and Validation of Efficient and Portable QSAR Models for Drug Discovery","display_name":"PoseidonQ: A Free Machine Learning Platform for the Development, Analysis, and Validation of Efficient and Portable QSAR Models for Drug Discovery","publication_year":2025,"publication_date":"2025-04-09","ids":{"openalex":"https://openalex.org/W4409291680","doi":"https://doi.org/10.1021/acs.jcim.4c02372","pmid":"https://pubmed.ncbi.nlm.nih.gov/40202493"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02372","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02372","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5096085731","display_name":"Muzammil Kabi\u0307er","orcid":null},"institutions":[{"id":"https://openalex.org/I346547768","display_name":"Aims Community College","ror":"https://ror.org/01g325629","country_code":"US","type":"education","lineage":["https://openalex.org/I346547768"]},{"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","US"],"is_corresponding":false,"raw_author_name":"Muzammil Kabier","raw_affiliation_strings":["Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","Department of Pharmaceutical Chemistry, Amrita School of Pharmacy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","institution_ids":["https://openalex.org/I346547768"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Amrita School of Pharmacy","institution_ids":["https://openalex.org/I81556334"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029372344","display_name":"Nicola Gambacorta","orcid":"https://orcid.org/0000-0003-1965-1519"},"institutions":[{"id":"https://openalex.org/I2800188116","display_name":"Casa Sollievo della Sofferenza","ror":"https://ror.org/00md77g41","country_code":"IT","type":"healthcare","lineage":["https://openalex.org/I2800188116","https://openalex.org/I4210153126"]},{"id":"https://openalex.org/I4210116470","display_name":"Medical Genetics Center","ror":"https://ror.org/027nwsc63","country_code":"DE","type":"healthcare","lineage":["https://openalex.org/I4210116470"]},{"id":"https://openalex.org/I4210133672","display_name":"Istituto di Farmacologia Traslazionale","ror":"https://ror.org/03ta8pf33","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210133672","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["DE","IT"],"is_corresponding":false,"raw_author_name":"Nicola Gambacorta","raw_affiliation_strings":["Dipartimento di Farmacia - Scienze del Farmaco","Division of Medical Genetics","IRCCS Foundation-Casa Sollievo della Sofferenza","Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d"],"raw_orcid":"https://orcid.org/0000-0003-1965-1519","affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia - Scienze del Farmaco","institution_ids":["https://openalex.org/I4210133672"]},{"raw_affiliation_string":"Division of Medical Genetics","institution_ids":["https://openalex.org/I4210116470"]},{"raw_affiliation_string":"IRCCS Foundation-Casa Sollievo della Sofferenza","institution_ids":["https://openalex.org/I2800188116"]},{"raw_affiliation_string":"Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074347557","display_name":"Fulvio Ciriaco","orcid":"https://orcid.org/0000-0002-0695-6607"},"institutions":[{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fulvio Ciriaco","raw_affiliation_strings":["Dipartimento di Chimica","Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica","institution_ids":[]},{"raw_affiliation_string":"Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000257777","display_name":"Fabrizio Mastrolorito","orcid":"https://orcid.org/0000-0001-6753-8997"},"institutions":[{"id":"https://openalex.org/I4210133672","display_name":"Istituto di Farmacologia Traslazionale","ror":"https://ror.org/03ta8pf33","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210133672","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fabrizio Mastrolorito","raw_affiliation_strings":["Dipartimento di Farmacia - Scienze del Farmaco","Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia - Scienze del Farmaco","institution_ids":["https://openalex.org/I4210133672"]},{"raw_affiliation_string":"Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014021452","display_name":"Sunil Kumar","orcid":"https://orcid.org/0009-0009-3354-0322"},"institutions":[{"id":"https://openalex.org/I346547768","display_name":"Aims Community College","ror":"https://ror.org/01g325629","country_code":"US","type":"education","lineage":["https://openalex.org/I346547768"]},{"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","US"],"is_corresponding":false,"raw_author_name":"Sunil Kumar","raw_affiliation_strings":["Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","Department of Pharmaceutical Chemistry, Amrita School of Pharmacy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","institution_ids":["https://openalex.org/I346547768"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Amrita School of Pharmacy","institution_ids":["https://openalex.org/I81556334"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023941392","display_name":"Bijo Mathew","orcid":"https://orcid.org/0000-0002-6658-4497"},"institutions":[{"id":"https://openalex.org/I346547768","display_name":"Aims Community College","ror":"https://ror.org/01g325629","country_code":"US","type":"education","lineage":["https://openalex.org/I346547768"]},{"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","US"],"is_corresponding":true,"raw_author_name":"Bijo Mathew","raw_affiliation_strings":["Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","Department of Pharmaceutical Chemistry, Amrita School of Pharmacy"],"raw_orcid":"https://orcid.org/0000-0002-6658-4497","affiliations":[{"raw_affiliation_string":"Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus","institution_ids":["https://openalex.org/I346547768"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Amrita School of Pharmacy","institution_ids":["https://openalex.org/I81556334"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024737795","display_name":"Orazio Nicolotti","orcid":"https://orcid.org/0000-0001-6533-5539"},"institutions":[{"id":"https://openalex.org/I4210133672","display_name":"Istituto di Farmacologia Traslazionale","ror":"https://ror.org/03ta8pf33","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210133672","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Orazio Nicolotti","raw_affiliation_strings":["Dipartimento di Farmacia - Scienze del Farmaco","Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d"],"raw_orcid":"https://orcid.org/0000-0001-6533-5539","affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia - Scienze del Farmaco","institution_ids":["https://openalex.org/I4210133672"]},{"raw_affiliation_string":"Universit\u00e0 degli Studi di Bari \u201cAldo Moro\u201d","institution_ids":["https://openalex.org/I5561750"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5023941392","https://openalex.org/A5024737795"],"corresponding_institution_ids":["https://openalex.org/I346547768","https://openalex.org/I4210133672","https://openalex.org/I5561750","https://openalex.org/I81556334"],"apc_list":null,"apc_paid":null,"fwci":9.2799,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.97945188,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"65","issue":"8","first_page":"3944","last_page":"3954"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9861000180244446,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9452999830245972,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.8710464239120483},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.6146935224533081},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5403509140014648},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4643557071685791},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.42655694484710693},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3918812870979309},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.3825664520263672},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.20789045095443726},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.17139533162117004},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1426575481891632}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8710464239120483},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6146935224533081},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5403509140014648},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4643557071685791},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.42655694484710693},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3918812870979309},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.3825664520263672},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.20789045095443726},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.17139533162117004},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1426575481891632},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02372","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02372","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:40202493","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40202493","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:ricerca.uniba.it:11586/577624","is_oa":false,"landing_page_url":"https://hdl.handle.net/11586/577624","pdf_url":null,"source":{"id":"https://openalex.org/S4377196296","display_name":"CINECA IRIS Institutional Research Information System (University of Bari Aldo Moro)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I5561750","host_organization_name":"University of Bari Aldo Moro","host_organization_lineage":["https://openalex.org/I5561750"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2405682762","display_name":null,"funder_award_id":"P2022KCW3L","funder_id":"https://openalex.org/F4320331528","funder_display_name":"Ministero dell'Universit\u00e0 e della Ricerca"}],"funders":[{"id":"https://openalex.org/F4320331528","display_name":"Ministero dell'Universit\u00e0 e della Ricerca","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1977382278","https://openalex.org/W1990399577","https://openalex.org/W2057069496","https://openalex.org/W2068696072","https://openalex.org/W2074681440","https://openalex.org/W2092220396","https://openalex.org/W2101234009","https://openalex.org/W2104900375","https://openalex.org/W2116051638","https://openalex.org/W2128245586","https://openalex.org/W2151697120","https://openalex.org/W2159887157","https://openalex.org/W2254686952","https://openalex.org/W2739708140","https://openalex.org/W2810831745","https://openalex.org/W2900090807","https://openalex.org/W2905344844","https://openalex.org/W2959938226","https://openalex.org/W2989850839","https://openalex.org/W3023785973","https://openalex.org/W3030978062","https://openalex.org/W3110719286","https://openalex.org/W3153418506","https://openalex.org/W3172227795","https://openalex.org/W3204734866","https://openalex.org/W3207280803","https://openalex.org/W3216008944","https://openalex.org/W4210617107","https://openalex.org/W4223417221","https://openalex.org/W4229332892","https://openalex.org/W4296349613","https://openalex.org/W4311578563","https://openalex.org/W4386501498","https://openalex.org/W4387965319","https://openalex.org/W4390221451","https://openalex.org/W4390743649","https://openalex.org/W4392239612","https://openalex.org/W4396636573","https://openalex.org/W4400222530","https://openalex.org/W4403697375","https://openalex.org/W4406946019"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W1967793880","https://openalex.org/W2127264463","https://openalex.org/W2764191054","https://openalex.org/W1585256759"],"abstract_inverted_index":{"The":[0],"advent":[1],"of":[2,12,15,38,73,85,102,115,140,151,163,178,205,222,254,257,281],"powerful":[3],"machine":[4,97,267],"learning":[5,98,268],"algorithms":[6],"as":[7,9,182],"well":[8],"the":[10,35,83,86,112,131,137,141,156,161,176,203,263,276],"availability":[11],"high":[13],"volume":[14],"pharmacological":[16],"data":[17,167,224,229],"has":[18],"given":[19,160],"new":[20,25,39,52,55,223],"fuel":[21],"to":[22,81,136,148,195,250],"QSAR,":[23],"opening":[24],"unprecedented":[26],"options":[27],"for":[28,33,42,50,64,68,89,218,244,292,305],"deriving":[29],"highly":[30],"predictive":[31],"models":[32,120,181,200,207],"assisting":[34],"rationale":[36],"design":[37,91,246],"bioactive":[40],"compounds,":[41],"screening":[43,219],"and":[44,49,71,92,105,110,118,125,191,198,216,233,247,270,279,294,301],"prioritizing":[45],"large":[46,149,220],"molecular":[47,103,108],"libraries,":[48],"repurposing":[51],"drugs":[53],"toward":[54],"clinical":[56],"uses.":[57],"Here,":[58],"we":[59],"present":[60],"PoseidonQ":[61,94,174,239,261,289],"(an":[62],"acronym":[63],"Personal":[65],"Optimization":[66],"Software":[67],"Efficient":[69],"Implementation":[70],"Derivation":[72],"Online":[74],"QSAR),":[75],"a":[76,123,251],"user-friendly":[77],"software":[78],"solution":[79],"designed":[80],"simplify":[82],"derivation":[84,114],"QSAR":[87,180,206,242,282],"model":[88,231],"drug":[90,245,272,286],"discovery.":[93],"incorporates":[95],"22":[96],"algorithms,":[99],"17":[100],"types":[101],"fingerprints,":[104],"208":[106],"RDKit":[107],"descriptors":[109],"enables":[111],"quick":[113],"both":[116],"regression":[117],"classification":[119],"along":[121],"with":[122,188],"calculated":[124],"easily":[126],"interpretable":[127],"applicability":[128],"domain.":[129],"Importantly,":[130,155],"platform":[132],"is":[133,158,290],"automatically":[134],"linked":[135],"latest":[138],"version":[139],"ChEMBL":[142],"database,":[143],"thus":[144],"providing":[145],"streamlined":[146],"access":[147],"amounts":[150],"curated":[152],"bioactivity":[153],"data.":[154],"user":[157],"also":[159],"option":[162],"gathering":[164],"high-quality":[165],"experimental":[166],"based":[168],"on":[169],"customizable":[170],"filtering":[171],"settings.":[172],"Noteworthy,":[173],"facilitates":[175],"deployment":[177,234],"trained":[179],"web-based":[183,209],"applications":[184,210],"through":[185],"seamless":[186],"integration":[187],"Streamlit":[189],"Cloud":[190],"GitHub,":[192],"empowering":[193],"users":[194],"share,":[196],"refine,":[197],"integrate":[199],"effortlessly.":[201],"Interestingly,":[202],"translation":[204],"into":[208,235],"makes":[211,240],"them":[212],"free":[213,306],"accessible,":[214],"portable,":[215],"ready":[217],"volumes":[221],"without":[225],"limits.":[226],"By":[227],"unifying":[228],"preparation,":[230],"generation,":[232],"an":[236],"intuitive":[237],"workflow,":[238],"advanced":[241],"modeling":[243],"discovery":[248,273,287],"accessible":[249],"wide":[252],"audience":[253],"researchers":[255],"irrespective":[256],"their":[258],"skill":[259],"levels.":[260],"bridges":[262],"gap":[264],"between":[265],"complex":[266],"techniques":[269],"practical":[271],"applications,":[274],"enhancing":[275],"efficiency,":[277],"collaboration,":[278],"adoption":[280],"approaches":[283],"in":[284],"modern":[285],"programs.":[288],"available":[291],"Windows":[293],"Linux":[295],"(ubuntu":[296],"22.04":[297],"distro)":[298],"operating":[299],"systems":[300],"can":[302],"be":[303],"downloaded":[304],"at":[307],"https://github.com/Muzatheking12/PoseidonQ.":[308]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}