Cargando…
Making sense of chemical space network shows signs of criticality
Chemical space modelling has great importance in unveiling and visualising latent information, which is critical in predictive toxicology related to drug discovery process. While the use of traditional molecular descriptors and fingerprints may suffer from the so-called curse of dimensionality, comp...
Autores principales: | Amoroso, Nicola, Gambacorta, Nicola, Mastrolorito, Fabrizio, Togo, Maria Vittoria, Trisciuzzi, Daniela, Monaco, Alfonso, Pantaleo, Ester, Altomare, Cosimo Damiano, Ciriaco, Fulvio, Nicolotti, Orazio |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10696027/ https://www.ncbi.nlm.nih.gov/pubmed/38049451 http://dx.doi.org/10.1038/s41598-023-48107-3 |
Ejemplares similares
-
PLATO: A Predictive Drug Discovery Web Platform for Efficient Target Fishing and Bioactivity Profiling of Small Molecules
por: Ciriaco, Fulvio, et al.
Publicado: (2022) -
Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease
por: Gambacorta, Nicola, et al.
Publicado: (2022) -
Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to
por: Carofiglio, Francesca, et al.
Publicado: (2020) -
Short-term anti-remodeling effects of gliflozins in diabetic patients with heart failure and reduced ejection fraction: an explainable artificial intelligence approach
por: Mele, Marco, et al.
Publicado: (2023) -
Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search †
por: Montaruli, Michele, et al.
Publicado: (2019)