{"id":"https://openalex.org/W7221751885","doi":"https://doi.org/10.1039/d6ra07617c","title":"Monte Carlo-based QSPR modeling of drop-weight impact sensitivity of energetic materials using hybrid SMILES\u2013graph descriptors","display_name":"Monte Carlo-based QSPR modeling of drop-weight impact sensitivity of energetic materials using hybrid SMILES\u2013graph descriptors","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7221751885","doi":"https://doi.org/10.1039/d6ra07617c","pmid":"https://pubmed.ncbi.nlm.nih.gov/42877621","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13662854"},"language":"en","primary_location":{"id":"doi:10.1039/d6ra07617c","doi":"https://doi.org/10.1039/d6ra07617c","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6ra07617c","pdf_url":null,"source":{"id":"https://openalex.org/S2481244646","display_name":"RSC Advances","issn_l":"2046-2069","issn":["2046-2069"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Advances","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1039/d6ra07617c","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064018139","display_name":"Shahram Lotfi","orcid":"https://orcid.org/0000-0002-0910-9681","observed_orcids":["https://orcid.org/0000-0002-0910-9681"]},"institutions":[{"id":"https://openalex.org/I55547365","display_name":"Payame Noor University","ror":"https://ror.org/031699d98","country_code":"IR","type":"education","lineage":["https://openalex.org/I55547365"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Shahram Lotfi","raw_affiliation_strings":["Department of Chemistry, Payame Noor University (PNU), 19395-4697 Tehran, Iran"],"raw_orcid":"https://orcid.org/0000-0002-0910-9681","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Payame Noor University (PNU), 19395-4697 Tehran, Iran","institution_ids":["https://openalex.org/I55547365"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046876632","display_name":"Shahin Ahmadi","orcid":"https://orcid.org/0000-0003-1019-4649","observed_orcids":["https://orcid.org/0000-0003-1019-4649"]},"institutions":[{"id":"https://openalex.org/I110525433","display_name":"Islamic Azad University, Tehran","ror":"https://ror.org/01kzn7k21","country_code":"IR","type":"education","lineage":["https://openalex.org/I110525433"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Shahin Ahmadi","raw_affiliation_strings":["Department of Chemistry, TeMS.C., Islamic Azad University, Tehran, Iran"],"raw_orcid":"https://orcid.org/0000-0003-1019-4649","affiliations":[{"raw_affiliation_string":"Department of Chemistry, TeMS.C., Islamic Azad University, Tehran, Iran","institution_ids":["https://openalex.org/I110525433"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036858021","display_name":"Prof Parvin Kumar","orcid":"https://orcid.org/0000-0002-2635-6465","observed_orcids":["https://orcid.org/0000-0002-2635-6465"]},"institutions":[{"id":"https://openalex.org/I178000100","display_name":"Kurukshetra University","ror":"https://ror.org/019bzvf55","country_code":"IN","type":"education","lineage":["https://openalex.org/I178000100"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Parvin Kumar","raw_affiliation_strings":["Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana, 136119, India"],"raw_orcid":"https://orcid.org/0000-0002-2635-6465","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana, 136119, India","institution_ids":["https://openalex.org/I178000100"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5046876632","https://openalex.org/A5064018139"],"corresponding_institution_ids":["https://openalex.org/I110525433","https://openalex.org/I55547365"],"apc_list":{"value":850,"currency":"GBP","value_usd":1042},"apc_paid":{"value":850,"currency":"GBP","value_usd":1042},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.60299113,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"16","issue":"47","first_page":"62837","last_page":"62847"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":0.9692000150680542,"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"}},"topics":[{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":0.9692000150680542,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.015399999916553497,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.009800000116229057,"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/energetic-materials","display_name":"energetic materials","score":0.9860000014305115},{"id":"https://openalex.org/keywords/quantitative-structure-property-relationship","display_name":"QSPR","score":0.8029999732971191},{"id":"https://openalex.org/keywords/monte-carlo-sampling","display_name":"Monte Carlo sampling","score":0.6359999775886536},{"id":"https://openalex.org/keywords/coral","display_name":"coral","score":0.5950000286102295},{"id":"https://openalex.org/keywords/molecular-descriptors","display_name":"molecular descriptors","score":0.671999990940094}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8331999778747559},{"id":"https://openalex.org/C21200559","wikidata":"https://www.wikidata.org/wiki/Q7451068","display_name":"Sensitivity (control systems)","level":2,"score":0.8237000107765198},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.49779999256134033},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.4235999882221222},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4050999879837036},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.34940001368522644},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.28949999809265137},{"id":"https://openalex.org/C2778026756","wikidata":"https://www.wikidata.org/wiki/Q5376832","display_name":"Energetic material","level":3,"score":0.265500009059906},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2567000091075897},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.2295999974012375}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1039/d6ra07617c","doi":"https://doi.org/10.1039/d6ra07617c","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6ra07617c","pdf_url":null,"source":{"id":"https://openalex.org/S2481244646","display_name":"RSC Advances","issn_l":"2046-2069","issn":["2046-2069"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Advances","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13662854","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13662854/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13662854/pdf/RA-OLF-D6RA07617C.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Adv","raw_type":"Text"},{"id":"pmid:42877621","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42877621","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,"listed_in":[],"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":"RSC advances","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:aa2f89ef7a094e8e8ff9c4522e37bea3","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/aa2f89ef7a094e8e8ff9c4522e37bea3","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"RSC Advances, Vol 16, Iss 47, Pp 62837-62837 (2026)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1039/d6ra07617c","doi":"https://doi.org/10.1039/d6ra07617c","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6ra07617c","pdf_url":null,"source":{"id":"https://openalex.org/S2481244646","display_name":"RSC Advances","issn_l":"2046-2069","issn":["2046-2069"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"RSC Advances","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7221751885.pdf","grobid_xml":"https://content.openalex.org/works/W7221751885.grobid-xml"},"referenced_works_count":54,"referenced_works":["https://openalex.org/W161898705","https://openalex.org/W1625352935","https://openalex.org/W1982177423","https://openalex.org/W1986055758","https://openalex.org/W1997062727","https://openalex.org/W2005293869","https://openalex.org/W2006469946","https://openalex.org/W2011073429","https://openalex.org/W2023782921","https://openalex.org/W2025813818","https://openalex.org/W2033306719","https://openalex.org/W2038703062","https://openalex.org/W2042516100","https://openalex.org/W2043145503","https://openalex.org/W2046729361","https://openalex.org/W2061662114","https://openalex.org/W2070399202","https://openalex.org/W2078364965","https://openalex.org/W2084031540","https://openalex.org/W2087466582","https://openalex.org/W2087906952","https://openalex.org/W2129156377","https://openalex.org/W2149409702","https://openalex.org/W2267945123","https://openalex.org/W2460945404","https://openalex.org/W2616279688","https://openalex.org/W2617514100","https://openalex.org/W2762389169","https://openalex.org/W2894497929","https://openalex.org/W2914983738","https://openalex.org/W2946894642","https://openalex.org/W2956839027","https://openalex.org/W2979709191","https://openalex.org/W3000507009","https://openalex.org/W3029416459","https://openalex.org/W3101856735","https://openalex.org/W3158948668","https://openalex.org/W3162879149","https://openalex.org/W3184757808","https://openalex.org/W3206387232","https://openalex.org/W3211076759","https://openalex.org/W4206352839","https://openalex.org/W4241223089","https://openalex.org/W4289766781","https://openalex.org/W4294233071","https://openalex.org/W4295941005","https://openalex.org/W4311738453","https://openalex.org/W4318026810","https://openalex.org/W4377014135","https://openalex.org/W4380033793","https://openalex.org/W4385988372","https://openalex.org/W4404029034","https://openalex.org/W4404029228","https://openalex.org/W4409053461"],"related_works":["https://openalex.org/W2061662114","https://openalex.org/W2363949511","https://openalex.org/W7162553539","https://openalex.org/W4409053461","https://openalex.org/W2009860579","https://openalex.org/W2043145503","https://openalex.org/W4417123463","https://openalex.org/W2352961303","https://openalex.org/W4411522824","https://openalex.org/W4226244832"],"abstract_inverted_index":{"A":[0],"hybrid":[1],"SMILES\u2013graph":[2],"descriptor":[3],"enables":[4],"prediction":[5],"of":[6],"drop-weight":[7],"impact":[8],"sensitivity":[9],"for":[10],"515":[11],"energetic":[12],"compounds":[13],"using":[14],"a":[15],"compact":[16],"CORAL-based":[17],"QSPR":[18],"approach.":[19]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-10-15T00:00:00"}