Skip to content

Commit d05cf10

Browse files
committed
add pharmacophore and FP
1 parent 91d811e commit d05cf10

3 files changed

+620
-1
lines changed

README.md

+4-1
Original file line numberDiff line numberDiff line change
@@ -29,4 +29,7 @@ rdkit总结与记录
2929
**FP_similarity_and_application.ipynb**
3030

3131
## 分子描述符计算与可视化
32-
**descriptor_calculate_visualize.ipynb**
32+
**descriptor_calculate_visualize.ipynb**
33+
34+
## 化学特征、药效团提取与2D药效团指纹计算
35+
**features_pharmacophores_2D_FP.ipynb**

data/bit_in_pharmacophore_fp.jpg

347 KB
Loading

features_pharmacophores_2D_FP.ipynb

+616
Large diffs are not rendered by default.

0 commit comments

Comments
 (0)