A carregar...
Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG method
The prediction of log P values is one part of the statistical assessment of the modeling of proteins and ligands (SAMPL) blind challenges. Here, we use a molecular graph representation method called Geometric Scattering for Graphs (GSG) to transform atomic attributes to molecular features. The atomi...
Na minha lista:
| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2021
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8295205/ https://ncbi.nlm.nih.gov/pubmed/34181200 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-021-00400-x |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|