Computers in biology and medicineDeep LearningDrug DiscoveryHumansMolecular Dynamics SimulationAntineoplastic Agents
DrugAppy - An end-to-end deep learning framework for computational drug discovery.
Elisa Poyatos-Racionero, Lucía Paniagua-Herranz, Cristian Privat, Carmen Martín-Hernández, Cristina Nieto-Jiménez, Cristina Herrero-Igartua, Ramón García-Escudero, Pawel Gancarski, Corina Lorz, Alberto Ocana
Published: 202510.1016/j.compbiomed.2025.111201
Abstract
Identification of druggable oncogenic vulnerabilities and the design of novel chemical entities against them is crucial in cancer research due to the limited curative options for some advanced cancers. However, the drug design process is costly and t…
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