canSAR: update to the cancer translational research and drug discovery knowledgebase.
Date
2023-01-06Author
di Micco, P
Antolin, AA
Mitsopoulos, C
Villasclaras-Fernandez, E
Sanfelice, D
Dolciami, D
Ramagiri, P
Mica, IL
Tym, JE
Gingrich, PW
Hu, H
Workman, P
Al-Lazikani, B
Type
Journal Article
Metadata
Show full item recordAbstract
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.
Collections
Subject
Humans
Algorithms
Drug Discovery
Knowledge Bases
Neoplasms
Translational Research, Biomedical
Antineoplastic Agents
Research team
Computational Biology
Signal Trans & Mol Pharma
Language
eng
Date accepted
2022-11-28
License start date
2023-01-06
Citation
Nucleic Acids Research, 2023, 51 (D1), pp. D1212 - D1219
Publisher
OXFORD UNIV PRESS