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canSAR: update to the cancer translational research and drug discovery knowledgebase

canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and s...

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Detalles Bibliográficos
Autores principales: di Micco, Patrizio, Antolin, Albert A, Mitsopoulos, Costas, Villasclaras-Fernandez, Eloy, Sanfelice, Domenico, Dolciami, Daniela, Ramagiri, Pradeep, Mica, Ioan L, Tym, Joseph E, Gingrich, Philip W, Hu, Huabin, Workman, Paul, Al-Lazikani, Bissan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9825411/
https://www.ncbi.nlm.nih.gov/pubmed/36624665
http://dx.doi.org/10.1093/nar/gkac1004
Descripción
Sumario:canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and systems biology. Moreover, canSAR applies a unique suite of machine learning algorithms designed to inform drug discovery. Here, we describe the latest updates to the knowledgebase, including a focus on significant novel data. These include canSAR’s ligandability assessment of AlphaFold; mapping of fragment-based screening data; and new chemical bioactivity data for novel targets. We also describe enhancements to the data and interface.