LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps
- Autores
- Prada Gori, Denis Nihuel; Alberca, Lucas Nicolás; Rodríguez, Santiago; Alice, Juan Ignacio; Llanos, Manuel Augusto; Bellera, Carolina Leticia; Talevi, Alan
- Año de publicación
- 2022
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Cheminformatics is the chemical field that deals with the storage, retrieval, analysis and manipulation of an increasing volume of available chemical data, and it plays a fundamental role in the fields of drug discovery, biology, chemistry, and biochemistry. Open source and freely available cheminformatics tools not only contribute to the generation of public knowledge, but also to reduce the technological gap between high- and low- to middle-income countries. Here, we describe a series of in-house cheminformatics applications developed by our academic drug discovery team, which are freely available on our website (https://lideb.biol.unlp.edu.ar/) as Web Apps and stand-alone versions. These apps include tools for clustering small molecules, decoy generation, druggability assessment, classificatory model evaluation, and data standardization and visualization.
Laboratorio de Investigación y Desarrollo de Bioactivos - Materia
-
Ciencias Exactas
Biología
cheminformatics
open source
web applications
clustering
decoy generation
decoys
druggability prediction
druggability - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/157038
Ver los metadatos del registro completo
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LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics appsPrada Gori, Denis NihuelAlberca, Lucas NicolásRodríguez, SantiagoAlice, Juan IgnacioLlanos, Manuel AugustoBellera, Carolina LeticiaTalevi, AlanCiencias ExactasBiologíacheminformaticsopen sourceweb applicationsclusteringdecoy generationdecoysdruggability predictiondruggabilityCheminformatics is the chemical field that deals with the storage, retrieval, analysis and manipulation of an increasing volume of available chemical data, and it plays a fundamental role in the fields of drug discovery, biology, chemistry, and biochemistry. Open source and freely available cheminformatics tools not only contribute to the generation of public knowledge, but also to reduce the technological gap between high- and low- to middle-income countries. Here, we describe a series of in-house cheminformatics applications developed by our academic drug discovery team, which are freely available on our website (https://lideb.biol.unlp.edu.ar/) as Web Apps and stand-alone versions. These apps include tools for clustering small molecules, decoy generation, druggability assessment, classificatory model evaluation, and data standardization and visualization.Laboratorio de Investigación y Desarrollo de Bioactivos2022-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/157038enginfo:eu-repo/semantics/altIdentifier/issn/2667-3185info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ailsci.2022.100049info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:40:51Zoai:sedici.unlp.edu.ar:10915/157038Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:40:52.13SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
title |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
spellingShingle |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps Prada Gori, Denis Nihuel Ciencias Exactas Biología cheminformatics open source web applications clustering decoy generation decoys druggability prediction druggability |
title_short |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
title_full |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
title_fullStr |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
title_full_unstemmed |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
title_sort |
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps |
dc.creator.none.fl_str_mv |
Prada Gori, Denis Nihuel Alberca, Lucas Nicolás Rodríguez, Santiago Alice, Juan Ignacio Llanos, Manuel Augusto Bellera, Carolina Leticia Talevi, Alan |
author |
Prada Gori, Denis Nihuel |
author_facet |
Prada Gori, Denis Nihuel Alberca, Lucas Nicolás Rodríguez, Santiago Alice, Juan Ignacio Llanos, Manuel Augusto Bellera, Carolina Leticia Talevi, Alan |
author_role |
author |
author2 |
Alberca, Lucas Nicolás Rodríguez, Santiago Alice, Juan Ignacio Llanos, Manuel Augusto Bellera, Carolina Leticia Talevi, Alan |
author2_role |
author author author author author author |
dc.subject.none.fl_str_mv |
Ciencias Exactas Biología cheminformatics open source web applications clustering decoy generation decoys druggability prediction druggability |
topic |
Ciencias Exactas Biología cheminformatics open source web applications clustering decoy generation decoys druggability prediction druggability |
dc.description.none.fl_txt_mv |
Cheminformatics is the chemical field that deals with the storage, retrieval, analysis and manipulation of an increasing volume of available chemical data, and it plays a fundamental role in the fields of drug discovery, biology, chemistry, and biochemistry. Open source and freely available cheminformatics tools not only contribute to the generation of public knowledge, but also to reduce the technological gap between high- and low- to middle-income countries. Here, we describe a series of in-house cheminformatics applications developed by our academic drug discovery team, which are freely available on our website (https://lideb.biol.unlp.edu.ar/) as Web Apps and stand-alone versions. These apps include tools for clustering small molecules, decoy generation, druggability assessment, classificatory model evaluation, and data standardization and visualization. Laboratorio de Investigación y Desarrollo de Bioactivos |
description |
Cheminformatics is the chemical field that deals with the storage, retrieval, analysis and manipulation of an increasing volume of available chemical data, and it plays a fundamental role in the fields of drug discovery, biology, chemistry, and biochemistry. Open source and freely available cheminformatics tools not only contribute to the generation of public knowledge, but also to reduce the technological gap between high- and low- to middle-income countries. Here, we describe a series of in-house cheminformatics applications developed by our academic drug discovery team, which are freely available on our website (https://lideb.biol.unlp.edu.ar/) as Web Apps and stand-alone versions. These apps include tools for clustering small molecules, decoy generation, druggability assessment, classificatory model evaluation, and data standardization and visualization. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-12 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://sedici.unlp.edu.ar/handle/10915/157038 |
url |
http://sedici.unlp.edu.ar/handle/10915/157038 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/2667-3185 info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ailsci.2022.100049 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) |
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openAccess |
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http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) |
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application/pdf |
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SEDICI (UNLP) - Universidad Nacional de La Plata |
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