Načítá se...
Molecular Geometry Prediction using a Deep Generative Graph Neural Network
A molecule’s geometry, also known as conformation, is one of a molecule’s most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional conformation generation methods minimize hand-designed molecular force...
Uloženo v:
| Vydáno v: | Sci Rep |
|---|---|
| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Nature Publishing Group UK
2019
|
| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6938476/ https://ncbi.nlm.nih.gov/pubmed/31892716 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-56773-5 |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|