{"id":"https://openalex.org/W2065753888","doi":"https://doi.org/10.1007/s10822-004-5171-y","title":"Tomocomd-Cardd, a novel approach for computer-aided ? rational? drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds","display_name":"Tomocomd-Cardd, a novel approach for computer-aided ? rational? drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds","publication_year":2004,"publication_date":"2004-10-01","ids":{"openalex":"https://openalex.org/W2065753888","doi":"https://doi.org/10.1007/s10822-004-5171-y","mag":"2065753888","pmid":"https://pubmed.ncbi.nlm.nih.gov/15849993"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-004-5171-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-004-5171-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5015398632","display_name":"Yovani Marrero\u2010Ponce","orcid":"https://orcid.org/0000-0003-2721-1142"},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":true,"raw_author_name":"Yovani Marrero-Ponce","raw_affiliation_strings":["Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara 54830, Villa Clara, Cuba. yovanimp@qf.uclv.edu.cu","Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara 54830, Villa Clara, Cuba. yovanimp@qf.uclv.edu.cu","institution_ids":["https://openalex.org/I3018837529"]},{"raw_affiliation_string":"Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010759353","display_name":"Juan A. Castillo\u2010Garit","orcid":"https://orcid.org/0000-0003-0896-9484"},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Juan A. Castillo-Garit","raw_affiliation_strings":["Applied Chemistry Research Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","Department of Drug Design, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Applied Chemistry Research Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]},{"raw_affiliation_string":"Department of Drug Design, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060563350","display_name":"Ervelio Olaz\u00e1bal","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Ervelio Olazabal","raw_affiliation_strings":["Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032575766","display_name":"Hector S. Serrano","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Hector S. Serrano","raw_affiliation_strings":["Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029795639","display_name":"Alcidez Morales","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Alcidez Morales","raw_affiliation_strings":["Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Parasitology, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5098289243","display_name":"Nilo Casta\ufffdedo","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Nilo Casta\ufffdedo","raw_affiliation_strings":["Department of Drug Design, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Drug Design, Chemical Bioactive Center, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111795190","display_name":"Froyl\ufffdn Ibarra-Velarde","orcid":null},"institutions":[{"id":"https://openalex.org/I8961855","display_name":"Universidad Nacional Aut\u00f3noma de M\u00e9xico","ror":"https://ror.org/01tmp8f25","country_code":"MX","type":"education","lineage":["https://openalex.org/I8961855"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Froyl\ufffdn Ibarra-Velarde","raw_affiliation_strings":["Department of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510"],"affiliations":[{"raw_affiliation_string":"Department of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510","institution_ids":["https://openalex.org/I8961855"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067458422","display_name":"Alma Huesca\u2010Guill\u00e9n","orcid":null},"institutions":[{"id":"https://openalex.org/I8961855","display_name":"Universidad Nacional Aut\u00f3noma de M\u00e9xico","ror":"https://ror.org/01tmp8f25","country_code":"MX","type":"education","lineage":["https://openalex.org/I8961855"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Alma Huesca-Guillen","raw_affiliation_strings":["Department of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510"],"affiliations":[{"raw_affiliation_string":"Department of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F, 04510","institution_ids":["https://openalex.org/I8961855"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052694564","display_name":"Elisa Jorge","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Elisa Jorge","raw_affiliation_strings":["Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080867599","display_name":"Arletys del Valle","orcid":null},"institutions":[{"id":"https://openalex.org/I3018837529","display_name":"Universidad Central \"Marta Abreu\" de las Villas (UCLV)","ror":"https://ror.org/01cdy6h50","country_code":"CU","type":"education","lineage":["https://openalex.org/I3018837529"]}],"countries":["CU"],"is_corresponding":false,"raw_author_name":"Arletys del Valle","raw_affiliation_strings":["Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Faculty of Chemical-Pharmacy, Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba","institution_ids":["https://openalex.org/I3018837529"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034115402","display_name":"Francisco Torrens","orcid":"https://orcid.org/0000-0002-8534-208X"},"institutions":[{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Francisco Torrens","raw_affiliation_strings":["Institut Universitari de Ci\u00e8ncia Molecular, Universitat de Val\u00e8ncia, Dr. Moliner 50, E-46100, Burjassot (Val\u00e8ncia), Spain"],"affiliations":[{"raw_affiliation_string":"Institut Universitari de Ci\u00e8ncia Molecular, Universitat de Val\u00e8ncia, Dr. Moliner 50, E-46100, Burjassot (Val\u00e8ncia), Spain","institution_ids":["https://openalex.org/I16097986"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062972297","display_name":"Eduardo Castro","orcid":"https://orcid.org/0000-0001-9017-5098"},"institutions":[{"id":"https://openalex.org/I4210120094","display_name":"Instituto de Investigaciones Fisicoqu\u00edmicas Te\u00f3ricas y Aplicadas","ror":"https://ror.org/02t6gq889","country_code":"AR","type":"education","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210120094","https://openalex.org/I4210123736","https://openalex.org/I4210138160","https://openalex.org/I4387155568","https://openalex.org/I874386039"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Eduardo A. Castro","raw_affiliation_strings":["INIFTA, Divisi\u00f3n Qu\u00edmica Te\u00f3rica, Suc.4, C.C.16, La Plata, 1900, Buenos Aires, Argentina"],"affiliations":[{"raw_affiliation_string":"INIFTA, Divisi\u00f3n Qu\u00edmica Te\u00f3rica, Suc.4, C.C.16, La Plata, 1900, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I4210120094"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5015398632"],"corresponding_institution_ids":["https://openalex.org/I3018837529"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":7.6815,"has_fulltext":false,"cited_by_count":67,"citation_normalized_percentile":{"value":0.97744361,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"18","issue":"10","first_page":"615","last_page":"634"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9988999962806702,"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":0.9988999962806702,"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/T13483","display_name":"Herbal Medicine Research Studies","score":0.9465000033378601,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T13506","display_name":"Botanical Research and Chemistry","score":0.9365000128746033,"subfield":{"id":"https://openalex.org/subfields/1105","display_name":"Ecology, Evolution, Behavior and Systematics"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/anthelmintic","display_name":"Anthelmintic","score":0.8525035977363586},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.6785176992416382},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6594209671020508},{"id":"https://openalex.org/keywords/robustness","display_name":"Robustness (evolution)","score":0.5489563941955566},{"id":"https://openalex.org/keywords/linear-discriminant-analysis","display_name":"Linear discriminant analysis","score":0.4926474690437317},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.47586339712142944},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.44677048921585083},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4443493187427521},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.438708633184433},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4360351860523224},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4124661386013031},{"id":"https://openalex.org/keywords/experimental-data","display_name":"Experimental data","score":0.41045230627059937},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.34213075041770935},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.31543153524398804},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2837370038032532},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2437630295753479},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18688297271728516},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.1826970875263214},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14157333970069885}],"concepts":[{"id":"https://openalex.org/C2776908094","wikidata":"https://www.wikidata.org/wiki/Q572294","display_name":"Anthelmintic","level":2,"score":0.8525035977363586},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.6785176992416382},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6594209671020508},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.5489563941955566},{"id":"https://openalex.org/C69738355","wikidata":"https://www.wikidata.org/wiki/Q1228929","display_name":"Linear discriminant analysis","level":2,"score":0.4926474690437317},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.47586339712142944},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.44677048921585083},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4443493187427521},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.438708633184433},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4360351860523224},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4124661386013031},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.41045230627059937},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.34213075041770935},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.31543153524398804},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2837370038032532},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2437630295753479},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18688297271728516},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.1826970875263214},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14157333970069885},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000977","descriptor_name":"Antiparasitic Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000977","descriptor_name":"Antiparasitic Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000977","descriptor_name":"Antiparasitic Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003627","descriptor_name":"Data Interpretation, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"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":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","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":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-004-5171-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-004-5171-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:15849993","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15849993","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Reduced inequalities","id":"https://metadata.un.org/sdg/10","score":0.6200000047683716}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":53,"referenced_works":["https://openalex.org/W54822236","https://openalex.org/W605004440","https://openalex.org/W1964510149","https://openalex.org/W1967015450","https://openalex.org/W1972156862","https://openalex.org/W1974436521","https://openalex.org/W1975354637","https://openalex.org/W1979785686","https://openalex.org/W1980815463","https://openalex.org/W1985592654","https://openalex.org/W1992128778","https://openalex.org/W1994740784","https://openalex.org/W2003625643","https://openalex.org/W2006713454","https://openalex.org/W2006800547","https://openalex.org/W2014629704","https://openalex.org/W2017013630","https://openalex.org/W2022527200","https://openalex.org/W2023935965","https://openalex.org/W2025046262","https://openalex.org/W2040090648","https://openalex.org/W2040911422","https://openalex.org/W2042354627","https://openalex.org/W2050447033","https://openalex.org/W2051787881","https://openalex.org/W2052251235","https://openalex.org/W2058556255","https://openalex.org/W2059390591","https://openalex.org/W2068504303","https://openalex.org/W2073186293","https://openalex.org/W2080084157","https://openalex.org/W2087661061","https://openalex.org/W2089254401","https://openalex.org/W2093440936","https://openalex.org/W2093541047","https://openalex.org/W2096374737","https://openalex.org/W2107680276","https://openalex.org/W2126749862","https://openalex.org/W2133293687","https://openalex.org/W2143936870","https://openalex.org/W2146588715","https://openalex.org/W2148881504","https://openalex.org/W2148907336","https://openalex.org/W2149885988","https://openalex.org/W2154508617","https://openalex.org/W2172268214","https://openalex.org/W2234292754","https://openalex.org/W2949243165","https://openalex.org/W2965380781","https://openalex.org/W4231836309","https://openalex.org/W4236463097","https://openalex.org/W4251010516","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1993149851","https://openalex.org/W1997566113","https://openalex.org/W2080075000","https://openalex.org/W2083497194","https://openalex.org/W2033669961","https://openalex.org/W2092215329","https://openalex.org/W2000912523"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2017,"cited_by_count":5},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":2}],"updated_date":"2026-03-28T08:17:26.163206","created_date":"2025-10-10T00:00:00"}
