A Binary Classification Model for Toxicity Prediction in Drug Design

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AudienciaPúblico en generales_ES
CoberturaMéxico[ 143]es_ES
Fecha de ingreso2026-10-05T16:35:01Z
Fecha de publicación2021-01-01
ResumenToxicity in drug design is a very important step prior to human or animal evaluation phases. Establishing drug toxicity involves the modification or redesign of the drug into an analog to suppress or reduce the toxicity. In this work, two different deep neural networks architectures and a proposed model to classify drug toxicity were evaluated. Three datasets of molecular descriptors were build based on SMILES from the Tox21 database and the AhR protein to test the accuracy prediction of the models. All models were tested with different sets of hyperparameters. The proposed model showed higher accuracy and lower loss compared to the other architectures. The number of descriptors played a key roll in the accuracy of the proposed model along with the Adam optimizer.es_ES
Doihttps://doi.org/10.1007/978-3-030-86271-8_13es_ES
ISBN978-303086270-1es_ES
URIhttps://riuat.uat.edu.mx/handle/123456789/6485
IdiomaInglés[20]es_ES
EditorialSpringer Science and Business Media Deutschland GmbHes_ES
RelaciónLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)es_ES
URL relacionadohttps://doi.org/10.1007/978-3-030-86271-8_13es_ES
DerechosAcceso restringido / Suscripción (Metadatos de producción científica)es_ES
Licenciahttp://purl.org/coar/access_right/c_16eces_ES
FuenteLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Palabra claveDeep learninges_ES
Palabra claveDrug designes_ES
Palabra claveTox21es_ES
Palabra claveToxicityes_ES
TítuloA Binary Classification Model for Toxicity Prediction in Drug Designes_ES
TipoPonenciaes_ES
ArbitradoHa sido Arbitradoes_ES
AutorVarela-Salinas, Génesis
AutorCamacho-Cruz, Hugo E.
AutorSaldivar, Alfredo Juaŕez
AutorMartinez-Rodriguez, Jose L.
AutorRodriguez-Rodriguez, Josue
AutorGarcia-Perez, Carlos
AutorVarela-Salinas, Génesises_ES
AutorCamacho-Cruz, Hugo E.es_ES
AutorSaldivar, Alfredo Juaŕezes_ES
AutorMartinez-Rodriguez, Jose L.es_ES
AutorRodriguez-Rodriguez, Josuees_ES
AutorGarcia-Perez, Carloses_ES
InstituciónUniversidad Autónoma de Tamaulipas
InstituciónUniversidad Autónoma de Tamaulipases_ES
Rango de páginas149-157es_ES
URL relacionadahttps://doi.org/10.1007/978-3-030-86271-8_13
Tipo de artículoIndexado
Tipo de artículoIndexadoes_ES
Volumen12886 LNAIes_ES

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