{"id":"https://openalex.org/W4416597075","doi":"https://doi.org/10.1186/s13321-025-01049-6","title":"Nipah Virus Inhibitor Knowledgebase (NVIK): a combined evidence approach to prioritise small molecule inhibitors","display_name":"Nipah Virus Inhibitor Knowledgebase (NVIK): a combined evidence approach to prioritise small molecule inhibitors","publication_year":2025,"publication_date":"2025-11-24","ids":{"openalex":"https://openalex.org/W4416597075","doi":"https://doi.org/10.1186/s13321-025-01049-6","pmid":"https://pubmed.ncbi.nlm.nih.gov/41287046"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-025-01049-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-01049-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01049-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01049-6","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5115592729","display_name":"Bhupender Singh","orcid":"https://orcid.org/0009-0005-0299-471X"},"institutions":[{"id":"https://openalex.org/I4210147764","display_name":"Institute of Microbial Technology","ror":"https://ror.org/055rjs771","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I4210147764","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Bhupender Singh","raw_affiliation_strings":["Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India","institution_ids":["https://openalex.org/I4210147764"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118983863","display_name":"Nishi Kumari","orcid":"https://orcid.org/0000-0003-0436-2300"},"institutions":[{"id":"https://openalex.org/I51452335","display_name":"Panjab University","ror":"https://ror.org/04p2sbk06","country_code":"IN","type":"education","lineage":["https://openalex.org/I51452335"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Nishi Kumari","raw_affiliation_strings":["Department of Biotechnology, University Institute of Engineering and Technology, Panjab University, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Department of Biotechnology, University Institute of Engineering and Technology, Panjab University, Chandigarh, India","institution_ids":["https://openalex.org/I51452335"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026908117","display_name":"Ayush Upadhyay","orcid":"https://orcid.org/0000-0001-8309-8522"},"institutions":[{"id":"https://openalex.org/I110166357","display_name":"University of Delhi","ror":"https://ror.org/04gzb2213","country_code":"IN","type":"education","lineage":["https://openalex.org/I110166357"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Ayush Upadhyay","raw_affiliation_strings":["Department of Microbiology, Bhaskaracharya College of Applied Sciences, Delhi University, New Delhi, India"],"affiliations":[{"raw_affiliation_string":"Department of Microbiology, Bhaskaracharya College of Applied Sciences, Delhi University, New Delhi, India","institution_ids":["https://openalex.org/I110166357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5120377134","display_name":"Bhavini Pahuja","orcid":null},"institutions":[{"id":"https://openalex.org/I74796645","display_name":"Birla Institute of Technology and Science, Pilani","ror":"https://ror.org/001p3jz28","country_code":"IN","type":"education","lineage":["https://openalex.org/I74796645"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Bhavini Pahuja","raw_affiliation_strings":["Department of Pharmacy, Birla Institute of Technology and Sciences, Pilani, Rajasthan, India"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Birla Institute of Technology and Sciences, Pilani, Rajasthan, India","institution_ids":["https://openalex.org/I74796645"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056485316","display_name":"Eugenia Covernton","orcid":"https://orcid.org/0000-0001-6776-0918"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Eugenia Covernton","raw_affiliation_strings":["Learning Planet Institute, Paris, France"],"affiliations":[{"raw_affiliation_string":"Learning Planet Institute, Paris, France","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016876615","display_name":"Kishan Kalia","orcid":"https://orcid.org/0000-0001-8296-0758"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kishan Kalia","raw_affiliation_strings":["Department of Biotechnology and Bioinformatics, D.A.V. College, Sector-10, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Department of Biotechnology and Bioinformatics, D.A.V. College, Sector-10, Chandigarh, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042214573","display_name":"Kanika Tuteja","orcid":"https://orcid.org/0000-0003-4846-4472"},"institutions":[{"id":"https://openalex.org/I51452335","display_name":"Panjab University","ror":"https://ror.org/04p2sbk06","country_code":"IN","type":"education","lineage":["https://openalex.org/I51452335"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Kanika Tuteja","raw_affiliation_strings":["Centre of Systems Biology and Bioinformatics, Panjab University, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Centre of Systems Biology and Bioinformatics, Panjab University, Chandigarh, India","institution_ids":["https://openalex.org/I51452335"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006844740","display_name":"Priyanka Rani Paul","orcid":"https://orcid.org/0000-0001-5214-2770"},"institutions":[{"id":"https://openalex.org/I177828482","display_name":"Institute of Genomics and Integrative Biology","ror":"https://ror.org/05ef28661","country_code":"IN","type":"facility","lineage":["https://openalex.org/I177828482","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]},{"id":"https://openalex.org/I66760702","display_name":"Council of Scientific and Industrial Research","ror":"https://ror.org/021wm7p51","country_code":"IN","type":"government","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]},{"id":"https://openalex.org/I99364266","display_name":"Academy of Scientific and Innovative Research","ror":"https://ror.org/053rcsq61","country_code":"IN","type":"education","lineage":["https://openalex.org/I99364266"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Priyanka Rani Paul","raw_affiliation_strings":["Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","Genomics and Molecular Medicine Unit, Institute of Genomics and Integrative Biology (IGIB), Council of Scientific and Industrial Research (CSIR), Mall Road, Delhi, 110007, India"],"affiliations":[{"raw_affiliation_string":"Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","institution_ids":["https://openalex.org/I99364266"]},{"raw_affiliation_string":"Genomics and Molecular Medicine Unit, Institute of Genomics and Integrative Biology (IGIB), Council of Scientific and Industrial Research (CSIR), Mall Road, Delhi, 110007, India","institution_ids":["https://openalex.org/I177828482","https://openalex.org/I66760702"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100618225","display_name":"Rakesh Kumar","orcid":"https://orcid.org/0000-0003-1645-6451"},"institutions":[{"id":"https://openalex.org/I4210142124","display_name":"International Centre for Genetic Engineering and Biotechnology","ror":"https://ror.org/03j4rrt43","country_code":"IN","type":"facility","lineage":["https://openalex.org/I4210142124","https://openalex.org/I91080651"]},{"id":"https://openalex.org/I4210147764","display_name":"Institute of Microbial Technology","ror":"https://ror.org/055rjs771","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I4210147764","https://openalex.org/I66760702"]},{"id":"https://openalex.org/I99364266","display_name":"Academy of Scientific and Innovative Research","ror":"https://ror.org/053rcsq61","country_code":"IN","type":"education","lineage":["https://openalex.org/I99364266"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Rakesh Kumar","raw_affiliation_strings":["Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India","Translational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology (ICGEB), New Delhi, Delhi, 110067, India"],"affiliations":[{"raw_affiliation_string":"Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","institution_ids":["https://openalex.org/I99364266"]},{"raw_affiliation_string":"Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India","institution_ids":["https://openalex.org/I4210147764"]},{"raw_affiliation_string":"Translational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology (ICGEB), New Delhi, Delhi, 110067, India","institution_ids":["https://openalex.org/I4210142124"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5120663233","display_name":"Mayur Sudhakar Zarkar","orcid":null},"institutions":[{"id":"https://openalex.org/I4210147764","display_name":"Institute of Microbial Technology","ror":"https://ror.org/055rjs771","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I4210147764","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Mayur Sudhakar Zarkar","raw_affiliation_strings":["Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India","institution_ids":["https://openalex.org/I4210147764"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040857304","display_name":"Anshu Bhardwaj","orcid":"https://orcid.org/0000-0001-5830-2616"},"institutions":[{"id":"https://openalex.org/I4210147764","display_name":"Institute of Microbial Technology","ror":"https://ror.org/055rjs771","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I4210147764","https://openalex.org/I66760702"]},{"id":"https://openalex.org/I99364266","display_name":"Academy of Scientific and Innovative Research","ror":"https://ror.org/053rcsq61","country_code":"IN","type":"education","lineage":["https://openalex.org/I99364266"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Anshu Bhardwaj","raw_affiliation_strings":["Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. anshu@imtech.res.in","Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India. anshu@imtech.res.in","Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India"],"affiliations":[{"raw_affiliation_string":"Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. anshu@imtech.res.in","institution_ids":["https://openalex.org/I99364266"]},{"raw_affiliation_string":"Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India. anshu@imtech.res.in","institution_ids":["https://openalex.org/I4210147764"]},{"raw_affiliation_string":"Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India","institution_ids":["https://openalex.org/I99364266"]},{"raw_affiliation_string":"Bioinformatics Centre, CSIR-Institute of Microbial Technology, Chandigarh, India","institution_ids":["https://openalex.org/I4210147764"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5115592729"],"corresponding_institution_ids":["https://openalex.org/I4210147764"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":1.3216,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.85991626,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"17","issue":"1","first_page":"174","last_page":"174"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11135","display_name":"Virology and Viral Diseases","score":0.5674999952316284,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11135","display_name":"Virology and Viral Diseases","score":0.5674999952316284,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.06769999861717224,"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"}},{"id":"https://openalex.org/T14463","display_name":"Diverse Scientific Research Studies","score":0.04039999842643738,"subfield":{"id":"https://openalex.org/subfields/3600","display_name":"General Health Professions"},"field":{"id":"https://openalex.org/fields/36","display_name":"Health Professions"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.49970000982284546},{"id":"https://openalex.org/keywords/clearance","display_name":"Clearance","score":0.45190000534057617},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.43160000443458557},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.4083000123500824},{"id":"https://openalex.org/keywords/biodefense","display_name":"Biodefense","score":0.38659998774528503},{"id":"https://openalex.org/keywords/severe-acute-respiratory-syndrome-coronavirus-2","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","score":0.3783000111579895},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.36419999599456787},{"id":"https://openalex.org/keywords/chemical-similarity","display_name":"Chemical similarity","score":0.3458999991416931}],"concepts":[{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.49970000982284546},{"id":"https://openalex.org/C138944611","wikidata":"https://www.wikidata.org/wiki/Q1163287","display_name":"Clearance","level":2,"score":0.45190000534057617},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.43160000443458557},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.4083000123500824},{"id":"https://openalex.org/C2778545548","wikidata":"https://www.wikidata.org/wiki/Q4914739","display_name":"Biodefense","level":2,"score":0.38659998774528503},{"id":"https://openalex.org/C3007834351","wikidata":"https://www.wikidata.org/wiki/Q82069695","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","level":5,"score":0.3783000111579895},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.37139999866485596},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.36419999599456787},{"id":"https://openalex.org/C24259465","wikidata":"https://www.wikidata.org/wiki/Q2272153","display_name":"Chemical similarity","level":3,"score":0.3458999991416931},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3382999897003174},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.33660000562667847},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3343000113964081},{"id":"https://openalex.org/C155911762","wikidata":"https://www.wikidata.org/wiki/Q422321","display_name":"Blueprint","level":2,"score":0.29739999771118164},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2903999984264374},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.2874999940395355},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.2833000123500824},{"id":"https://openalex.org/C2777648638","wikidata":"https://www.wikidata.org/wiki/Q57751738","display_name":"Coronavirus","level":5,"score":0.2833000123500824},{"id":"https://openalex.org/C2909623084","wikidata":"https://www.wikidata.org/wiki/Q5331908","display_name":"Ebolavirus","level":4,"score":0.27880001068115234},{"id":"https://openalex.org/C3006700255","wikidata":"https://www.wikidata.org/wiki/Q81068910","display_name":"2019-20 coronavirus outbreak","level":3,"score":0.2741999924182892},{"id":"https://openalex.org/C89623803","wikidata":"https://www.wikidata.org/wiki/Q12184","display_name":"Pandemic","level":5,"score":0.260699987411499},{"id":"https://openalex.org/C2992293740","wikidata":"https://www.wikidata.org/wiki/Q4781752","display_name":"Drug approval","level":3,"score":0.25780001282691956},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.25060001015663147},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.25040000677108765}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/s13321-025-01049-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-01049-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01049-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:41287046","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41287046","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 cheminformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:db5c0406025c49c09e6248e2aee92189","is_oa":true,"landing_page_url":"https://doaj.org/article/db5c0406025c49c09e6248e2aee92189","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 17, Iss 1, Pp 1-14 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-025-01049-6","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-025-01049-6","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01049-6","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4416597075.pdf","grobid_xml":"https://content.openalex.org/works/W4416597075.grobid-xml"},"referenced_works_count":32,"referenced_works":["https://openalex.org/W1766115599","https://openalex.org/W1994723404","https://openalex.org/W2022100172","https://openalex.org/W2031254719","https://openalex.org/W2036824988","https://openalex.org/W2042499956","https://openalex.org/W2066127346","https://openalex.org/W2086142070","https://openalex.org/W2088302077","https://openalex.org/W2100689596","https://openalex.org/W2105649494","https://openalex.org/W2106093126","https://openalex.org/W2110014181","https://openalex.org/W2114618786","https://openalex.org/W2135732933","https://openalex.org/W2154692878","https://openalex.org/W2167713445","https://openalex.org/W2169563372","https://openalex.org/W2251148372","https://openalex.org/W2410066853","https://openalex.org/W2442023734","https://openalex.org/W2474047672","https://openalex.org/W2525128349","https://openalex.org/W2797676235","https://openalex.org/W2803931793","https://openalex.org/W2910692771","https://openalex.org/W2947193913","https://openalex.org/W2975454690","https://openalex.org/W4367050536","https://openalex.org/W4393203396","https://openalex.org/W4394918443","https://openalex.org/W4395011414"],"related_works":[],"abstract_inverted_index":{"Nipah":[0,118],"Virus":[1,119],"(NiV)":[2],"came":[3],"into":[4],"limelight":[5],"due":[6],"to":[7,37,50,53,114,193,251,292,313],"an":[8,69],"outbreak":[9],"in":[10,146,190,305],"Kerala,":[11],"India.":[12],"NiV":[13,85,276],"infection":[14],"can":[15,187],"cause":[16],"severe":[17],"respiratory":[18],"and":[19,33,55,211,231,256,297],"neurological":[20],"problems":[21],"with":[22,104,130,227,236,288],"fatality":[23],"rate":[24],"of":[25,43,61,117,127,142,173,207,265],"40-70%.":[26],"It":[27],"is":[28,68,271,311],"a":[29,39,88,123,272,307],"public":[30],"health":[31],"concern":[32],"has":[34,45,248],"the":[35,47,81,115,147,163,174,216,249,260,266],"potential":[36],"become":[38],"global":[40],"pandemic.":[41],"Lack":[42],"treatment":[44],"forced":[46],"containment":[48],"methods":[49],"be":[51,188],"restricted":[52],"isolation":[54],"surveillance.":[56],"WHO's":[57],"'R&D":[58],"Blueprint":[59],"list":[60],"priority":[62],"diseases'":[63],"(2018)":[64],"indicates":[65],"that":[66],"there":[67],"urgent":[70],"need":[71],"for":[72,77,83,107,140,262,275,300],"accelerated":[73],"research":[74],"&":[75],"development":[76],"addressing":[78],"NiV.":[79],"In":[80],"quest":[82],"druglike":[84,195],"inhibitors":[86,144,254],"(NVIs)":[87],"thorough":[89],"literature":[90],"search":[91],"followed":[92],"by":[93,259],"systematic":[94],"data":[95,100],"curation":[96],"was":[97,102],"conducted.":[98],"Rigorous":[99],"analysis":[101,168,226],"done":[103],"curated":[105,109,281],"NVIs":[106,129,175,217,267,284],"prioritising":[108],"compounds.":[110],"Our":[111],"efforts":[112],"led":[113],"creation":[116],"Inhibitor":[120],"Knowledgebase":[121],"(NVIK),":[122],"well-curated":[124],"structured":[125],"knowledgebase":[126],"220":[128],"142":[131,155],"unique":[132,156],"small":[133],"molecule":[134],"inhibitors.":[135,316],"The":[136,166,246,283],"reported":[137,258],"IC50/EC50":[138],"values":[139],"some":[141],"these":[143,315],"are":[145,240,285],"nanomolar":[148],"range-as":[149],"low":[150],"as":[151,176,255],"0.47":[152],"nM.":[153],"Of":[154],"small-molecule":[157],"inhibitors,":[158],"124":[159],"(87.32%)":[160],"compounds":[161],"cleared":[162],"PAINS":[164],"filter.":[165],"clustering":[167],"identified":[169],"more":[170],"than":[171],"90%":[172],"singletons":[177],"signifying":[178],"their":[179,212,221,294],"diverse":[180,184],"structural":[181,295],"features.":[182],"This":[183],"chemical":[185,233,290,301],"space":[186,291],"utilized":[189],"numerous":[191],"ways":[192],"develop":[194],"anti-nipah":[196],"molecules.":[197],"Further,":[198],"we":[199],"prioritised":[200],"top":[201],"10":[202],"NVIs,":[203],"based":[204],"on":[205],"robustness":[206],"assays,":[208],"physicochemical":[209,223],"properties":[210],"toxicity":[213],"profiles.":[214],"All":[215],"related":[218],"information":[219],"including":[220],"structures,":[222],"properties,":[224],"similarity":[225],"FDA":[228],"approved":[229],"drugs":[230],"other":[232],"libraries":[234],"along":[235],"predicted":[237],"ADMET":[238],"profiles":[239],"freely":[241],"accessible":[242],"at":[243],"https://datascience.imtech.res.in/anshu/nipah/":[244],".":[245],"NVIK":[247,270,306],"provision":[250],"submit":[252],"new":[253],"when":[257],"community":[261],"further":[263],"enhancement":[264],"landscape.Scientific":[268],"contributionThe":[269],"dedicated":[273],"resource":[274],"drug":[277],"discovery":[278],"containing":[279],"manually":[280],"NVIs.":[282],"structurally":[286],"mapped":[287],"known":[289],"identify":[293],"diversity":[296],"recommend":[298],"strategies":[299],"library":[302],"expansion.":[303],"Also,":[304],"combined":[308],"evidence-based":[309],"strategy":[310],"used":[312],"prioritise":[314]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-04-02T15:55:50.835912","created_date":"2025-11-25T00:00:00"}
