Compound dataset and custom code for deep generative multi-target compound design
Aim: Generating a data and software infrastructure for evaluating multi-target compound (MT-CPD) design via deep generative modeling. Methodology: The REINVENT 2.0 approach for generative modeling was extended for MT-CPD design and a large benchmark data set was curated. Exemplary results & data: Pr...
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Taylor & Francis Group
2021-07-01
|
| Schriftenreihe: | Future Science OA |
| Schlagworte: | |
| Online-Zugang: | https://www.future-science.com/doi/10.2144/fsoa-2021-0033 |
| Tags: |
Keine Tags, Fügen Sie das erste Tag hinzu!
|