Pub Date : 2025-02-05DOI: 10.1093/database/baaf006
Andrew Green, Carlos Eduardo Ribas, Nancy Ontiveros-Palacios, Sam Griffiths-Jones, Anton I Petrov, Alex Bateman, Blake Sweeney
Curation of literature in life sciences is a growing challenge. The continued increase in the rate of publication, coupled with the relatively fixed number of curators worldwide, presents a major challenge to developers of biomedical knowledgebases. Very few knowledgebases have resources to scale to the whole relevant literature and all have to prioritize their efforts. In this work, we take a first step to alleviating the lack of curator time in RNA science by generating summaries of literature for noncoding RNAs using large language models (LLMs). We demonstrate that high-quality, factually accurate summaries with accurate references can be automatically generated from the literature using a commercial LLM and a chain of prompts and checks. Manual assessment was carried out for a subset of summaries, with the majority being rated extremely high quality. We apply our tool to a selection of >4600 ncRNAs and make the generated summaries available via the RNAcentral resource. We conclude that automated literature summarization is feasible with the current generation of LLMs, provided that careful prompting and automated checking are applied. Database URL: https://rnacentral.org/.
{"title":"LitSumm: large language models for literature summarization of noncoding RNAs.","authors":"Andrew Green, Carlos Eduardo Ribas, Nancy Ontiveros-Palacios, Sam Griffiths-Jones, Anton I Petrov, Alex Bateman, Blake Sweeney","doi":"10.1093/database/baaf006","DOIUrl":"https://doi.org/10.1093/database/baaf006","url":null,"abstract":"<p><p>Curation of literature in life sciences is a growing challenge. The continued increase in the rate of publication, coupled with the relatively fixed number of curators worldwide, presents a major challenge to developers of biomedical knowledgebases. Very few knowledgebases have resources to scale to the whole relevant literature and all have to prioritize their efforts. In this work, we take a first step to alleviating the lack of curator time in RNA science by generating summaries of literature for noncoding RNAs using large language models (LLMs). We demonstrate that high-quality, factually accurate summaries with accurate references can be automatically generated from the literature using a commercial LLM and a chain of prompts and checks. Manual assessment was carried out for a subset of summaries, with the majority being rated extremely high quality. We apply our tool to a selection of >4600 ncRNAs and make the generated summaries available via the RNAcentral resource. We conclude that automated literature summarization is feasible with the current generation of LLMs, provided that careful prompting and automated checking are applied. Database URL: https://rnacentral.org/.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144126882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1093/database/baaf007
{"title":"Expression of Concern: DisGeNet: a disease-centric interaction database among diseases and various associated genes.","authors":"","doi":"10.1093/database/baaf007","DOIUrl":"https://doi.org/10.1093/database/baaf007","url":null,"abstract":"","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144126745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1093/database/baaf007
{"title":"Expression of Concern: DisGeNet: a disease-centric interaction database among diseases and various associated genes.","authors":"","doi":"10.1093/database/baaf007","DOIUrl":"https://doi.org/10.1093/database/baaf007","url":null,"abstract":"","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143995483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1093/database/baaf007
{"title":"Expression of Concern: DisGeNet: a disease-centric interaction database among diseases and various associated genes.","authors":"","doi":"10.1093/database/baaf007","DOIUrl":"10.1093/database/baaf007","url":null,"abstract":"","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11784583/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143070758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-29DOI: 10.1093/database/baae097
Limin Zhang, Julian Starr, Bruce Ford, Anton Reznicek, Yuxuan Zhou, Étienne Léveillé-Bourret, Étienne Lacroix-Carignan, Jacques Cayouette, Tyler W Smith, Donald Sutherland, Paul Catling, Jeffery M Saarela, Hong Cui, James Macklin
It is well-known that the use of vocabulary in phenotype treatments is often inconsistent. An earlier survey of biologists who create or use phenotypic characters revealed that this lack of standardization leads to ambiguities, frustrating both the consumers and producers of phenotypic data. Such ambiguities are challenging for biologists, and more so for Artificial Intelligence, to resolve. That survey also indicated a strong interest in a new authoring workflow supported by ontologies to ensure published phenotype data are FAIR (Findable, Accessible, Interoperable, and Reusable) and suitable for large-scale computational analyses. In this article, we introduce a prototype software system designed for authors to produce computational phenotype data. This platform includes a web-based, ontology-enhanced editor for taxonomic characters (Character Recorder), an Ontology Backend holding standardized vocabulary (the Cared Ontology), and a mobile application for resolving ontological conflicts (Conflict Resolver). We present two formal user evaluations of Character Recorder, the main interface authors would interact with to produce FAIR data. The evaluations were conducted with undergraduate biology students and Carex experts. We evaluated Character Recorder against Microsoft Excel on their effectiveness, efficiency, and the cognitive demands of the users in producing computable taxon-by-character matrices. The evaluations showed that Character Recorder is quickly learnable for both student and professional participants, with its cognitive demand comparable to Excel's. Participants agreed that the quality of the data Character Recorder yielded was superior. Students praised Character Recorder's educational value, while Carex experts were keen to recommend it and help evolve it from a prototype into a comprehensive tool. Feature improvements recommended by expert participants have been implemented after the evaluation.
{"title":"Helping authors produce FAIR taxonomic data: evaluation of an author-driven phenotype data production prototype.","authors":"Limin Zhang, Julian Starr, Bruce Ford, Anton Reznicek, Yuxuan Zhou, Étienne Léveillé-Bourret, Étienne Lacroix-Carignan, Jacques Cayouette, Tyler W Smith, Donald Sutherland, Paul Catling, Jeffery M Saarela, Hong Cui, James Macklin","doi":"10.1093/database/baae097","DOIUrl":"10.1093/database/baae097","url":null,"abstract":"<p><p>It is well-known that the use of vocabulary in phenotype treatments is often inconsistent. An earlier survey of biologists who create or use phenotypic characters revealed that this lack of standardization leads to ambiguities, frustrating both the consumers and producers of phenotypic data. Such ambiguities are challenging for biologists, and more so for Artificial Intelligence, to resolve. That survey also indicated a strong interest in a new authoring workflow supported by ontologies to ensure published phenotype data are FAIR (Findable, Accessible, Interoperable, and Reusable) and suitable for large-scale computational analyses. In this article, we introduce a prototype software system designed for authors to produce computational phenotype data. This platform includes a web-based, ontology-enhanced editor for taxonomic characters (Character Recorder), an Ontology Backend holding standardized vocabulary (the Cared Ontology), and a mobile application for resolving ontological conflicts (Conflict Resolver). We present two formal user evaluations of Character Recorder, the main interface authors would interact with to produce FAIR data. The evaluations were conducted with undergraduate biology students and Carex experts. We evaluated Character Recorder against Microsoft Excel on their effectiveness, efficiency, and the cognitive demands of the users in producing computable taxon-by-character matrices. The evaluations showed that Character Recorder is quickly learnable for both student and professional participants, with its cognitive demand comparable to Excel's. Participants agreed that the quality of the data Character Recorder yielded was superior. Students praised Character Recorder's educational value, while Carex experts were keen to recommend it and help evolve it from a prototype into a comprehensive tool. Feature improvements recommended by expert participants have been implemented after the evaluation.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11928229/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143064244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-29DOI: 10.1093/database/baae097
Limin Zhang, Julian Starr, Bruce Ford, Anton Reznicek, Yuxuan Zhou, Étienne Léveillé-Bourret, Étienne Lacroix-Carignan, Jacques Cayouette, Tyler W Smith, Donald Sutherland, Paul Catling, Jeffery M Saarela, Hong Cui, James Macklin
It is well-known that the use of vocabulary in phenotype treatments is often inconsistent. An earlier survey of biologists who create or use phenotypic characters revealed that this lack of standardization leads to ambiguities, frustrating both the consumers and producers of phenotypic data. Such ambiguities are challenging for biologists, and more so for Artificial Intelligence, to resolve. That survey also indicated a strong interest in a new authoring workflow supported by ontologies to ensure published phenotype data are FAIR (Findable, Accessible, Interoperable, and Reusable) and suitable for large-scale computational analyses. In this article, we introduce a prototype software system designed for authors to produce computational phenotype data. This platform includes a web-based, ontology-enhanced editor for taxonomic characters (Character Recorder), an Ontology Backend holding standardized vocabulary (the Cared Ontology), and a mobile application for resolving ontological conflicts (Conflict Resolver). We present two formal user evaluations of Character Recorder, the main interface authors would interact with to produce FAIR data. The evaluations were conducted with undergraduate biology students and Carex experts. We evaluated Character Recorder against Microsoft Excel on their effectiveness, efficiency, and the cognitive demands of the users in producing computable taxon-by-character matrices. The evaluations showed that Character Recorder is quickly learnable for both student and professional participants, with its cognitive demand comparable to Excel's. Participants agreed that the quality of the data Character Recorder yielded was superior. Students praised Character Recorder's educational value, while Carex experts were keen to recommend it and help evolve it from a prototype into a comprehensive tool. Feature improvements recommended by expert participants have been implemented after the evaluation.
{"title":"Helping authors produce FAIR taxonomic data: evaluation of an author-driven phenotype data production prototype.","authors":"Limin Zhang, Julian Starr, Bruce Ford, Anton Reznicek, Yuxuan Zhou, Étienne Léveillé-Bourret, Étienne Lacroix-Carignan, Jacques Cayouette, Tyler W Smith, Donald Sutherland, Paul Catling, Jeffery M Saarela, Hong Cui, James Macklin","doi":"10.1093/database/baae097","DOIUrl":"https://doi.org/10.1093/database/baae097","url":null,"abstract":"<p><p>It is well-known that the use of vocabulary in phenotype treatments is often inconsistent. An earlier survey of biologists who create or use phenotypic characters revealed that this lack of standardization leads to ambiguities, frustrating both the consumers and producers of phenotypic data. Such ambiguities are challenging for biologists, and more so for Artificial Intelligence, to resolve. That survey also indicated a strong interest in a new authoring workflow supported by ontologies to ensure published phenotype data are FAIR (Findable, Accessible, Interoperable, and Reusable) and suitable for large-scale computational analyses. In this article, we introduce a prototype software system designed for authors to produce computational phenotype data. This platform includes a web-based, ontology-enhanced editor for taxonomic characters (Character Recorder), an Ontology Backend holding standardized vocabulary (the Cared Ontology), and a mobile application for resolving ontological conflicts (Conflict Resolver). We present two formal user evaluations of Character Recorder, the main interface authors would interact with to produce FAIR data. The evaluations were conducted with undergraduate biology students and Carex experts. We evaluated Character Recorder against Microsoft Excel on their effectiveness, efficiency, and the cognitive demands of the users in producing computable taxon-by-character matrices. The evaluations showed that Character Recorder is quickly learnable for both student and professional participants, with its cognitive demand comparable to Excel's. Participants agreed that the quality of the data Character Recorder yielded was superior. Students praised Character Recorder's educational value, while Carex experts were keen to recommend it and help evolve it from a prototype into a comprehensive tool. Feature improvements recommended by expert participants have been implemented after the evaluation.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144126846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lanping black-boned (LPBB) sheep are a unique and rare ruminant species, characterized by black pigmentation in the skin and internal organs. Thus far, LPBB are the only known animal with heritable melanin characteristics besides the black-boned chicken, and the only mammal known to contain a large amount of melanin in the body. LPBB have therefore attracted substantial research attention, due to their potential contribution to medicine. However, long periods of grazing freely and crossbreeding with Lanping normal sheep (LPN) have diluted LPBB breeding resources, posing a challenge to the protection of species. To ensure the effective conservation and management of LPBB genetic resources, the construction of a large-scale database of genotypic information is therefore very important. To achieve this, we established the first LPBB-specific SNP database, named Black-boned Sheep Genome SNP Database (BbGSD, http://202.203.179.115:3838/oarsnpdb) using sheep genotype data (100 LPBB and 50 LPN) across 46 894 242 SNP sites. In this database, we implemented four main function modules: (i) the "LD heatmap" module, which uses a heatmap to enable the interactive visualization of pairwise linkage disequilibrium (LD) measurements between SNPs; (ii) the "SNP distribution" module, which allows users to interactively visualize tabular genotype data as heat maps; (iii) the "Phylogenetics" module which enables phylogenetic analysis to explore the evolutionary history or genetic relationships of the LPBB sheep; and the "Diversity" module, which can be used to calculate and display the nucleotide diversity among sheep populations in user-specified genomic regions. BbGSD is essential for accelerating studies on the functional genomics and screening of molecular markers of molecular-assisted breeding in black-boned sheep. Database URL: http://202.203.179.115:3838/oarsnpdb.
{"title":"BbGSD: Black-boned Sheep Genome SNP Database.","authors":"Chunjuan He, Lichang Chen, Juntao Cao, Yuqing Zhong, Zhendong Gao, Weidong Deng, Jiajin Zhang","doi":"10.1093/database/baaf004","DOIUrl":"https://doi.org/10.1093/database/baaf004","url":null,"abstract":"<p><p>Lanping black-boned (LPBB) sheep are a unique and rare ruminant species, characterized by black pigmentation in the skin and internal organs. Thus far, LPBB are the only known animal with heritable melanin characteristics besides the black-boned chicken, and the only mammal known to contain a large amount of melanin in the body. LPBB have therefore attracted substantial research attention, due to their potential contribution to medicine. However, long periods of grazing freely and crossbreeding with Lanping normal sheep (LPN) have diluted LPBB breeding resources, posing a challenge to the protection of species. To ensure the effective conservation and management of LPBB genetic resources, the construction of a large-scale database of genotypic information is therefore very important. To achieve this, we established the first LPBB-specific SNP database, named Black-boned Sheep Genome SNP Database (BbGSD, http://202.203.179.115:3838/oarsnpdb) using sheep genotype data (100 LPBB and 50 LPN) across 46 894 242 SNP sites. In this database, we implemented four main function modules: (i) the \"LD heatmap\" module, which uses a heatmap to enable the interactive visualization of pairwise linkage disequilibrium (LD) measurements between SNPs; (ii) the \"SNP distribution\" module, which allows users to interactively visualize tabular genotype data as heat maps; (iii) the \"Phylogenetics\" module which enables phylogenetic analysis to explore the evolutionary history or genetic relationships of the LPBB sheep; and the \"Diversity\" module, which can be used to calculate and display the nucleotide diversity among sheep populations in user-specified genomic regions. BbGSD is essential for accelerating studies on the functional genomics and screening of molecular markers of molecular-assisted breeding in black-boned sheep. Database URL: http://202.203.179.115:3838/oarsnpdb.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144126387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lanping black-boned (LPBB) sheep are a unique and rare ruminant species, characterized by black pigmentation in the skin and internal organs. Thus far, LPBB are the only known animal with heritable melanin characteristics besides the black-boned chicken, and the only mammal known to contain a large amount of melanin in the body. LPBB have therefore attracted substantial research attention, due to their potential contribution to medicine. However, long periods of grazing freely and crossbreeding with Lanping normal sheep (LPN) have diluted LPBB breeding resources, posing a challenge to the protection of species. To ensure the effective conservation and management of LPBB genetic resources, the construction of a large-scale database of genotypic information is therefore very important. To achieve this, we established the first LPBB-specific SNP database, named Black-boned Sheep Genome SNP Database (BbGSD, http://202.203.179.115:3838/oarsnpdb) using sheep genotype data (100 LPBB and 50 LPN) across 46 894 242 SNP sites. In this database, we implemented four main function modules: (i) the "LD heatmap" module, which uses a heatmap to enable the interactive visualization of pairwise linkage disequilibrium (LD) measurements between SNPs; (ii) the "SNP distribution" module, which allows users to interactively visualize tabular genotype data as heat maps; (iii) the "Phylogenetics" module which enables phylogenetic analysis to explore the evolutionary history or genetic relationships of the LPBB sheep; and the "Diversity" module, which can be used to calculate and display the nucleotide diversity among sheep populations in user-specified genomic regions. BbGSD is essential for accelerating studies on the functional genomics and screening of molecular markers of molecular-assisted breeding in black-boned sheep. Database URL: http://202.203.179.115:3838/oarsnpdb.
{"title":"BbGSD: Black-boned Sheep Genome SNP Database.","authors":"Chunjuan He, Lichang Chen, Juntao Cao, Yuqing Zhong, Zhendong Gao, Weidong Deng, Jiajin Zhang","doi":"10.1093/database/baaf004","DOIUrl":"10.1093/database/baaf004","url":null,"abstract":"<p><p>Lanping black-boned (LPBB) sheep are a unique and rare ruminant species, characterized by black pigmentation in the skin and internal organs. Thus far, LPBB are the only known animal with heritable melanin characteristics besides the black-boned chicken, and the only mammal known to contain a large amount of melanin in the body. LPBB have therefore attracted substantial research attention, due to their potential contribution to medicine. However, long periods of grazing freely and crossbreeding with Lanping normal sheep (LPN) have diluted LPBB breeding resources, posing a challenge to the protection of species. To ensure the effective conservation and management of LPBB genetic resources, the construction of a large-scale database of genotypic information is therefore very important. To achieve this, we established the first LPBB-specific SNP database, named Black-boned Sheep Genome SNP Database (BbGSD, http://202.203.179.115:3838/oarsnpdb) using sheep genotype data (100 LPBB and 50 LPN) across 46 894 242 SNP sites. In this database, we implemented four main function modules: (i) the \"LD heatmap\" module, which uses a heatmap to enable the interactive visualization of pairwise linkage disequilibrium (LD) measurements between SNPs; (ii) the \"SNP distribution\" module, which allows users to interactively visualize tabular genotype data as heat maps; (iii) the \"Phylogenetics\" module which enables phylogenetic analysis to explore the evolutionary history or genetic relationships of the LPBB sheep; and the \"Diversity\" module, which can be used to calculate and display the nucleotide diversity among sheep populations in user-specified genomic regions. BbGSD is essential for accelerating studies on the functional genomics and screening of molecular markers of molecular-assisted breeding in black-boned sheep. Database URL: http://202.203.179.115:3838/oarsnpdb.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11774206/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143058345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-28DOI: 10.1093/database/baae121
Sara Sepehri, Anja Heymans, Dinja De Win, Jan Maushagen, Audrey Sanctorum, Christophe Debruyne, Robim M Rodrigues, Joery De Kock, Vera Rogiers, Olga De Troyer, Tamara Vanhaecke
The European Union's ban on animal testing for cosmetic products and their ingredients, combined with the lack of validated animal-free methods, poses challenges in evaluating their potential repeated-dose organ toxicity. To address this, innovative strategies like Next-Generation Risk Assessment (NGRA) are being explored, integrating historical animal data with new mechanistic insights from non-animal New Approach Methodologies (NAMs). This paper introduces the TOXIN knowledge graph (TOXIN KG), a tool designed to retrieve toxicological information on cosmetic ingredients, with a focus on liver-related data. TOXIN KG uses graph-structured semantic technology and integrates toxicological data through ontologies, ensuring interoperable representation. The primary data source is safety information on cosmetic ingredients from scientific opinions issued by the Scientific Committee on Consumer Safety between 2009 and 2019. The ToxRTool automates the reliability assessment of toxicity studies, while the Simplified Molecular Input Line Entry System (SMILES) notation standardizes chemical identification, enabling in silico prediction of repeated-dose toxicity via the implementation of the Organization for Economic Co-operation and Development Quantitative Structure-Activity Relationship Toolbox (OECD QSAR Toolbox). The ToXic Process Ontology, enriched with relevant biological repositories, is employed to represent toxicological concepts systematically. Search filters allow the identification of cosmetic compounds potentially linked to liver toxicity. Data visualization is achieved through Ontodia, a JavaScript library. TOXIN KG, filled with information for 88 cosmetic ingredients, allowed us to identify 53 compounds affecting at least one liver toxicity parameter in a 90-day repeated-dose animal study. For one compound, we illustrate how TOXIN KG links this observation to hepatic cholestasis as an adverse outcome. In an ab initio NGRA context, follow-up in vitro studies using human-based NAMs would be necessary to understand the compound's biological activity and the molecular mechanism leading to the adverse effect. In summary, TOXIN KG emerges as a valuable tool for advancing the reusability of cosmetics safety data, providing knowledge in support of NAM-based hazard and risk assessments. Database URL: https://toxin-search.netlify.app/.
{"title":"The TOXIN knowledge graph: supporting animal-free risk assessment of cosmetics.","authors":"Sara Sepehri, Anja Heymans, Dinja De Win, Jan Maushagen, Audrey Sanctorum, Christophe Debruyne, Robim M Rodrigues, Joery De Kock, Vera Rogiers, Olga De Troyer, Tamara Vanhaecke","doi":"10.1093/database/baae121","DOIUrl":"10.1093/database/baae121","url":null,"abstract":"<p><p>The European Union's ban on animal testing for cosmetic products and their ingredients, combined with the lack of validated animal-free methods, poses challenges in evaluating their potential repeated-dose organ toxicity. To address this, innovative strategies like Next-Generation Risk Assessment (NGRA) are being explored, integrating historical animal data with new mechanistic insights from non-animal New Approach Methodologies (NAMs). This paper introduces the TOXIN knowledge graph (TOXIN KG), a tool designed to retrieve toxicological information on cosmetic ingredients, with a focus on liver-related data. TOXIN KG uses graph-structured semantic technology and integrates toxicological data through ontologies, ensuring interoperable representation. The primary data source is safety information on cosmetic ingredients from scientific opinions issued by the Scientific Committee on Consumer Safety between 2009 and 2019. The ToxRTool automates the reliability assessment of toxicity studies, while the Simplified Molecular Input Line Entry System (SMILES) notation standardizes chemical identification, enabling in silico prediction of repeated-dose toxicity via the implementation of the Organization for Economic Co-operation and Development Quantitative Structure-Activity Relationship Toolbox (OECD QSAR Toolbox). The ToXic Process Ontology, enriched with relevant biological repositories, is employed to represent toxicological concepts systematically. Search filters allow the identification of cosmetic compounds potentially linked to liver toxicity. Data visualization is achieved through Ontodia, a JavaScript library. TOXIN KG, filled with information for 88 cosmetic ingredients, allowed us to identify 53 compounds affecting at least one liver toxicity parameter in a 90-day repeated-dose animal study. For one compound, we illustrate how TOXIN KG links this observation to hepatic cholestasis as an adverse outcome. In an ab initio NGRA context, follow-up in vitro studies using human-based NAMs would be necessary to understand the compound's biological activity and the molecular mechanism leading to the adverse effect. In summary, TOXIN KG emerges as a valuable tool for advancing the reusability of cosmetics safety data, providing knowledge in support of NAM-based hazard and risk assessments. Database URL: https://toxin-search.netlify.app/.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11776536/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143064250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-28DOI: 10.1093/database/baae121
Sara Sepehri, Anja Heymans, Dinja De Win, Jan Maushagen, Audrey Sanctorum, Christophe Debruyne, Robim M Rodrigues, Joery De Kock, Vera Rogiers, Olga De Troyer, Tamara Vanhaecke
The European Union's ban on animal testing for cosmetic products and their ingredients, combined with the lack of validated animal-free methods, poses challenges in evaluating their potential repeated-dose organ toxicity. To address this, innovative strategies like Next-Generation Risk Assessment (NGRA) are being explored, integrating historical animal data with new mechanistic insights from non-animal New Approach Methodologies (NAMs). This paper introduces the TOXIN knowledge graph (TOXIN KG), a tool designed to retrieve toxicological information on cosmetic ingredients, with a focus on liver-related data. TOXIN KG uses graph-structured semantic technology and integrates toxicological data through ontologies, ensuring interoperable representation. The primary data source is safety information on cosmetic ingredients from scientific opinions issued by the Scientific Committee on Consumer Safety between 2009 and 2019. The ToxRTool automates the reliability assessment of toxicity studies, while the Simplified Molecular Input Line Entry System (SMILES) notation standardizes chemical identification, enabling in silico prediction of repeated-dose toxicity via the implementation of the Organization for Economic Co-operation and Development Quantitative Structure-Activity Relationship Toolbox (OECD QSAR Toolbox). The ToXic Process Ontology, enriched with relevant biological repositories, is employed to represent toxicological concepts systematically. Search filters allow the identification of cosmetic compounds potentially linked to liver toxicity. Data visualization is achieved through Ontodia, a JavaScript library. TOXIN KG, filled with information for 88 cosmetic ingredients, allowed us to identify 53 compounds affecting at least one liver toxicity parameter in a 90-day repeated-dose animal study. For one compound, we illustrate how TOXIN KG links this observation to hepatic cholestasis as an adverse outcome. In an ab initio NGRA context, follow-up in vitro studies using human-based NAMs would be necessary to understand the compound's biological activity and the molecular mechanism leading to the adverse effect. In summary, TOXIN KG emerges as a valuable tool for advancing the reusability of cosmetics safety data, providing knowledge in support of NAM-based hazard and risk assessments. Database URL: https://toxin-search.netlify.app/.
{"title":"The TOXIN knowledge graph: supporting animal-free risk assessment of cosmetics.","authors":"Sara Sepehri, Anja Heymans, Dinja De Win, Jan Maushagen, Audrey Sanctorum, Christophe Debruyne, Robim M Rodrigues, Joery De Kock, Vera Rogiers, Olga De Troyer, Tamara Vanhaecke","doi":"10.1093/database/baae121","DOIUrl":"https://doi.org/10.1093/database/baae121","url":null,"abstract":"<p><p>The European Union's ban on animal testing for cosmetic products and their ingredients, combined with the lack of validated animal-free methods, poses challenges in evaluating their potential repeated-dose organ toxicity. To address this, innovative strategies like Next-Generation Risk Assessment (NGRA) are being explored, integrating historical animal data with new mechanistic insights from non-animal New Approach Methodologies (NAMs). This paper introduces the TOXIN knowledge graph (TOXIN KG), a tool designed to retrieve toxicological information on cosmetic ingredients, with a focus on liver-related data. TOXIN KG uses graph-structured semantic technology and integrates toxicological data through ontologies, ensuring interoperable representation. The primary data source is safety information on cosmetic ingredients from scientific opinions issued by the Scientific Committee on Consumer Safety between 2009 and 2019. The ToxRTool automates the reliability assessment of toxicity studies, while the Simplified Molecular Input Line Entry System (SMILES) notation standardizes chemical identification, enabling in silico prediction of repeated-dose toxicity via the implementation of the Organization for Economic Co-operation and Development Quantitative Structure-Activity Relationship Toolbox (OECD QSAR Toolbox). The ToXic Process Ontology, enriched with relevant biological repositories, is employed to represent toxicological concepts systematically. Search filters allow the identification of cosmetic compounds potentially linked to liver toxicity. Data visualization is achieved through Ontodia, a JavaScript library. TOXIN KG, filled with information for 88 cosmetic ingredients, allowed us to identify 53 compounds affecting at least one liver toxicity parameter in a 90-day repeated-dose animal study. For one compound, we illustrate how TOXIN KG links this observation to hepatic cholestasis as an adverse outcome. In an ab initio NGRA context, follow-up in vitro studies using human-based NAMs would be necessary to understand the compound's biological activity and the molecular mechanism leading to the adverse effect. In summary, TOXIN KG emerges as a valuable tool for advancing the reusability of cosmetics safety data, providing knowledge in support of NAM-based hazard and risk assessments. Database URL: https://toxin-search.netlify.app/.</p>","PeriodicalId":10923,"journal":{"name":"Database: The Journal of Biological Databases and Curation","volume":"2025 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144126922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}