{"id":"https://openalex.org/W4220968834","doi":"https://doi.org/10.1021/acs.jcim.2c00205","title":"DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues","display_name":"DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues","publication_year":2022,"publication_date":"2022-03-16","ids":{"openalex":"https://openalex.org/W4220968834","doi":"https://doi.org/10.1021/acs.jcim.2c00205","pmid":"https://pubmed.ncbi.nlm.nih.gov/35294184"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00205","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00205","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/A5074907814","display_name":"Teresa Maria Creanza","orcid":"https://orcid.org/0000-0003-4926-6451"},"institutions":[{"id":"https://openalex.org/I4210146308","display_name":"Institute of Intelligent Systems for Automation","ror":"https://ror.org/051t1q308","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210146308","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Teresa Maria Creanza","raw_affiliation_strings":["CNR\u2500Institute of Intelligent Industrial Technologies and Systems for Advanced Manufacturing, Via Amendola 122/o, 70126 Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Intelligent Industrial Technologies and Systems for Advanced Manufacturing, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210146308"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068143911","display_name":"Giuseppe Lamanna","orcid":"https://orcid.org/0000-0002-6282-2224"},"institutions":[{"id":"https://openalex.org/I4210166808","display_name":"Institute of Crystallography","ror":"https://ror.org/05wba8r86","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210166808"]},{"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":"Giuseppe Lamanna","raw_affiliation_strings":["CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","Chemistry Department, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy","Chemistry Department, University of Bari \"Aldo Moro\", via E. Orabona, 4, I-70125 Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210166808"]},{"raw_affiliation_string":"Chemistry Department, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Chemistry Department, University of Bari \"Aldo Moro\", via E. Orabona, 4, I-70125 Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072308051","display_name":"Pietro Delre","orcid":"https://orcid.org/0000-0002-4523-2759"},"institutions":[{"id":"https://openalex.org/I4210166808","display_name":"Institute of Crystallography","ror":"https://ror.org/05wba8r86","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210166808"]},{"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":"Pietro Delre","raw_affiliation_strings":["CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","Chemistry Department, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy","Chemistry Department, University of Bari \"Aldo Moro\", via E. Orabona, 4, I-70125 Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210166808"]},{"raw_affiliation_string":"Chemistry Department, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy","institution_ids":["https://openalex.org/I5561750"]},{"raw_affiliation_string":"Chemistry Department, University of Bari \"Aldo Moro\", via E. Orabona, 4, I-70125 Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089166509","display_name":"Marialessandra Contino","orcid":"https://orcid.org/0000-0002-0713-3151"},"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":"Marialessandra Contino","raw_affiliation_strings":["Department of Pharmacy\u2500Pharmaceutical Sciences, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy"],"raw_orcid":"https://orcid.org/0000-0002-0713-3151","affiliations":[{"raw_affiliation_string":"Department of Pharmacy\u2500Pharmaceutical Sciences, University of Bari \u201cAldo Moro\u201d, via E. Orabona, 4, I-70125 Bari, Italy","institution_ids":["https://openalex.org/I5561750"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038840295","display_name":"Nicola Corriero","orcid":"https://orcid.org/0000-0002-9669-7476"},"institutions":[{"id":"https://openalex.org/I4210166808","display_name":"Institute of Crystallography","ror":"https://ror.org/05wba8r86","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210166808"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Nicola Corriero","raw_affiliation_strings":["CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210166808"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016208813","display_name":"Michele Saviano","orcid":"https://orcid.org/0000-0001-5086-2459"},"institutions":[{"id":"https://openalex.org/I4210166808","display_name":"Institute of Crystallography","ror":"https://ror.org/05wba8r86","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210166808"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Michele Saviano","raw_affiliation_strings":["CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy"],"raw_orcid":"https://orcid.org/0000-0001-5086-2459","affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210166808"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013570705","display_name":"Giuseppe Felice Mangiatordi","orcid":"https://orcid.org/0000-0003-4042-2841"},"institutions":[{"id":"https://openalex.org/I4210166808","display_name":"Institute of Crystallography","ror":"https://ror.org/05wba8r86","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210166808"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Giuseppe Felice Mangiatordi","raw_affiliation_strings":["CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy"],"raw_orcid":"https://orcid.org/0000-0003-4042-2841","affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210166808"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045969357","display_name":"Nicola Ancona","orcid":"https://orcid.org/0000-0003-0065-0321"},"institutions":[{"id":"https://openalex.org/I4210146308","display_name":"Institute of Intelligent Systems for Automation","ror":"https://ror.org/051t1q308","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210146308","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Nicola Ancona","raw_affiliation_strings":["CNR\u2500Institute of Intelligent Industrial Technologies and Systems for Advanced Manufacturing, Via Amendola 122/o, 70126 Bari, Italy"],"raw_orcid":"https://orcid.org/0000-0003-0065-0321","affiliations":[{"raw_affiliation_string":"CNR\u2500Institute of Intelligent Industrial Technologies and Systems for Advanced Manufacturing, Via Amendola 122/o, 70126 Bari, Italy","institution_ids":["https://openalex.org/I4210146308"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5013570705"],"corresponding_institution_ids":["https://openalex.org/I4210166808"],"apc_list":null,"apc_paid":null,"fwci":5.7873,"has_fulltext":false,"cited_by_count":43,"citation_normalized_percentile":{"value":0.9660788,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"62","issue":"6","first_page":"1411","last_page":"1424"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10375","display_name":"Pharmacogenetics and Drug Metabolism","score":0.9857000112533569,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9768000245094299,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7691918611526489},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.661878228187561},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.5354084968566895},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5160598158836365},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.5075494050979614},{"id":"https://openalex.org/keywords/synthetic-cannabinoids","display_name":"Synthetic cannabinoids","score":0.48808348178863525},{"id":"https://openalex.org/keywords/syntax","display_name":"Syntax","score":0.4411832094192505},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.428658664226532},{"id":"https://openalex.org/keywords/cannabinoid","display_name":"Cannabinoid","score":0.275029718875885},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.17259293794631958}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7691918611526489},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.661878228187561},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.5354084968566895},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5160598158836365},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.5075494050979614},{"id":"https://openalex.org/C2777846614","wikidata":"https://www.wikidata.org/wiki/Q19904200","display_name":"Synthetic cannabinoids","level":4,"score":0.48808348178863525},{"id":"https://openalex.org/C60048249","wikidata":"https://www.wikidata.org/wiki/Q37437","display_name":"Syntax","level":2,"score":0.4411832094192505},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.428658664226532},{"id":"https://openalex.org/C2780871563","wikidata":"https://www.wikidata.org/wiki/Q422936","display_name":"Cannabinoid","level":3,"score":0.275029718875885},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.17259293794631958},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.2c00205","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00205","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:35294184","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35294184","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:11586/411350","is_oa":false,"landing_page_url":"https://hdl.handle.net/11586/411350","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":[],"funders":[{"id":"https://openalex.org/F4320309888","display_name":"Chiesi Farmaceutici","ror":"https://ror.org/0511bn634"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":59,"referenced_works":["https://openalex.org/W1498436455","https://openalex.org/W1975147762","https://openalex.org/W1979900513","https://openalex.org/W1985588649","https://openalex.org/W2009605433","https://openalex.org/W2024910069","https://openalex.org/W2031168104","https://openalex.org/W2034549041","https://openalex.org/W2047379395","https://openalex.org/W2054881399","https://openalex.org/W2064675550","https://openalex.org/W2067849966","https://openalex.org/W2086744970","https://openalex.org/W2096541451","https://openalex.org/W2096703732","https://openalex.org/W2110485445","https://openalex.org/W2120869341","https://openalex.org/W2124955716","https://openalex.org/W2127760066","https://openalex.org/W2160592148","https://openalex.org/W2166478947","https://openalex.org/W2169678694","https://openalex.org/W2189911347","https://openalex.org/W2273267066","https://openalex.org/W2332896222","https://openalex.org/W2529996553","https://openalex.org/W2578240541","https://openalex.org/W2594183968","https://openalex.org/W2610148085","https://openalex.org/W2625312680","https://openalex.org/W2735246657","https://openalex.org/W2736137960","https://openalex.org/W2736491371","https://openalex.org/W2765224015","https://openalex.org/W2769683875","https://openalex.org/W2784270883","https://openalex.org/W2794994220","https://openalex.org/W2803015205","https://openalex.org/W2803615944","https://openalex.org/W2883583109","https://openalex.org/W2897337442","https://openalex.org/W2900694120","https://openalex.org/W2903800243","https://openalex.org/W2909063104","https://openalex.org/W2915175970","https://openalex.org/W2956961449","https://openalex.org/W2963028280","https://openalex.org/W2964677890","https://openalex.org/W2971690404","https://openalex.org/W3004133632","https://openalex.org/W3011286504","https://openalex.org/W3043595751","https://openalex.org/W3043969542","https://openalex.org/W3087318293","https://openalex.org/W3094101608","https://openalex.org/W3127493072","https://openalex.org/W3136143500","https://openalex.org/W3174777205","https://openalex.org/W3209416355"],"related_works":["https://openalex.org/W2553548503","https://openalex.org/W1967404732","https://openalex.org/W2226749982","https://openalex.org/W3045995536","https://openalex.org/W1968386238","https://openalex.org/W4308253407","https://openalex.org/W4310831746","https://openalex.org/W3206915023","https://openalex.org/W2119629574","https://openalex.org/W4379010217"],"abstract_inverted_index":{"In":[0],"this":[1,186],"paper,":[2],"we":[3],"present":[4,89],"a":[5,16,59,71,105,118,132,148,164],"deep":[6],"learning":[7],"algorithm":[8,78],"for":[9,32,111,121,185,190],"automated":[10],"design":[11,125],"of":[12,23,35,42,45,84,96,108,135,177],"druglike":[13],"analogues":[14,176],"(DeLA-Drug),":[15],"recurrent":[17],"neural":[18],"network":[19],"(RNN)":[20],"model":[21],"composed":[22],"two":[24],"long":[25],"short-term":[26],"memory":[27],"(LSTM)":[28],"layers":[29],"and":[30,81,115,159,193],"conceived":[31],"data-driven":[33],"generation":[34,107],"similar-to-bioactive":[36],"compounds.":[37],"DeLA-Drug":[38,102,138],"captures":[39],"the":[40,53,77,85,91,142],"syntax":[41],"SMILES":[43],"strings":[44],"more":[46],"than":[47],"1":[48],"million":[49],"compounds":[50,88,178],"belonging":[51],"to":[52,103,141],"ChEMBL28":[54,92],"database":[55],"and,":[56,184],"by":[57],"employing":[58],"new":[60],"strategy":[61],"called":[62],"sampling":[63],"with":[64],"substitutions":[65],"(SWS),":[66],"generates":[67],"molecules":[68],"starting":[69],"from":[70],"single":[72],"user-defined":[73],"query":[74],"compound.":[75],"Remarkably,":[76],"preserves":[79],"druglikeness":[80],"synthetic":[82],"accessibility":[83],"known":[86,149],"bioactive":[87],"in":[90,127,152,174,181],"repository.":[93],"The":[94],"absence":[95],"any":[97],"time-demanding":[98],"fine-tuning":[99],"procedure":[100],"enables":[101],"perform":[104],"fast":[106],"focused":[109],"libraries":[110],"further":[112],"high-throughput":[113],"screening":[114],"makes":[116],"it":[117],"suitable":[119],"tool":[120],"performing":[122],"de":[123],"novo":[124],"even":[126],"low-data":[128],"regimes.":[129],"To":[130],"provide":[131],"concrete":[133],"idea":[134],"its":[136],"applicability,":[137],"was":[139],"applied":[140],"cannabinoid":[143],"receptor":[144],"subtype":[145],"2":[146],"(CB2R),":[147],"target":[150],"involved":[151],"different":[153],"pathological":[154],"conditions":[155],"such":[156],"as":[157,163],"cancer":[158],"neurodegeneration.":[160],"DeLA-Drug,":[161],"available":[162,180],"free":[165],"web":[166],"platform":[167],"(http://www.ba.ic.cnr.it/softwareic/deladrugportal/),":[168],"can":[169],"help":[170],"medicinal":[171],"chemists":[172],"interested":[173],"generating":[175],"already":[179],"their":[182],"laboratories":[183],"reason,":[187],"good":[188],"candidates":[189],"an":[191],"easy":[192],"low-cost":[194],"synthesis.":[195]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":8},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":13},{"year":2022,"cited_by_count":6}],"updated_date":"2026-05-16T08:24:45.110214","created_date":"2025-10-10T00:00:00"}
