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
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/157038
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/157038
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling 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:UNLP2025-10-15T11:32:42Zoai: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:13292025-10-15 11:32:42.299SEDICI (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)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.22299

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