| Autor: |
Bakary N’tji Diallo, Glenister, Michael, Thommas M. Musyoka, Lobb, Kevin, Bishop, Özlem Tastan |
| Rok vydání: |
2021 |
| DOI: |
10.6084/m9.figshare.14544778 |
| Popis: |
Additional file 1: Fig S1. Distribution of SAscore for SANCDB compounds. X-axis represents SAscores and y-axis quantifies the corresponding probability densities. Fig. S2. Scatter plot of compounds molecular weight (MW) versus analogs count. X-axis and y-axis correspond to MW (Dalton) and the number of analogs respectively. Fig. S3. Scatter plot of compounds molecular weight (MW) versus analogs count. Fig. S4. t-SNE visualization of SANCDB and analogs chemical space. Fig. S5. Histogram and kernel density distribution of the scaffolds count. Fig. S6. Top 10 SANCDB scaffolds structures and their counts. Table S1. SANCDB analogs from Sci-finder for compounds without analogs on Mcule and Molport chemical databases. Table S2. A summary of all scaffold structures in SANCDB database. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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