Cargando…

Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment

Chemical features of small molecules can be abstracted to 3D pharmacophore models, which are easy to generate, interpret, and adapt by medicinal chemists. Three-dimensional pharmacophores can be used to efficiently match and align molecules according to their chemical feature pattern, which facilita...

Descripción completa

Detalles Bibliográficos
Autores principales: Permann, Christian, Seidel, Thomas, Langer, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8658842/
https://www.ncbi.nlm.nih.gov/pubmed/34885781
http://dx.doi.org/10.3390/molecules26237201