Datasets:
Update README.md
Browse files
README.md
CHANGED
|
@@ -10,12 +10,8 @@ size_categories:
|
|
| 10 |
- 10K<n<100K
|
| 11 |
dataset_summary: >-
|
| 12 |
AggregatorAdvisor identifies molecules that are known to aggregate or may aggregate in biochemical assays.
|
| 13 |
-
The approach is based on the chemical similarity to known aggregators, and physical properties
|
| 14 |
-
|
| 15 |
-
The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset, which contains 12645 compounds.
|
| 16 |
-
If you want to try these processes with the original dataset, please follow the instructions in the
|
| 17 |
-
[Processing Script.py](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/blob/main/Preprocessing%20Script.py) file located in the AggregatorAdvisor.
|
| 18 |
-
[Processing Script.py](https://huggingface.co/datasets/maomlab/HematoxLong2023/blob/main/Processing%20Script.py)
|
| 19 |
citation: >-
|
| 20 |
@article
|
| 21 |
{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
|
|
@@ -63,6 +59,8 @@ dataset_info:
|
|
| 63 |
---
|
| 64 |
|
| 65 |
# Aggregator Advisor
|
|
|
|
|
|
|
| 66 |
|
| 67 |
|
| 68 |
## Quickstart Usage
|
|
|
|
| 10 |
- 10K<n<100K
|
| 11 |
dataset_summary: >-
|
| 12 |
AggregatorAdvisor identifies molecules that are known to aggregate or may aggregate in biochemical assays.
|
| 13 |
+
The approach is based on the chemical similarity to known aggregators, and physical properties.\
|
| 14 |
+
The train and test datasets were created after sanitizing and splitting the original dataset in the paper below.
|
|
|
|
|
|
|
|
|
|
|
|
|
| 15 |
citation: >-
|
| 16 |
@article
|
| 17 |
{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
|
|
|
|
| 59 |
---
|
| 60 |
|
| 61 |
# Aggregator Advisor
|
| 62 |
+
The train and test datasets uploaded to our Hugging Face repository have been sanitized and split from the original dataset, which contains 12645 compounds.
|
| 63 |
+
If you want to try these processes with the original dataset, please follow the instructions in the [Processing Script.py](https://huggingface.co/datasets/maomlab/AggregatorAdvisor/blob/main/Preprocessing%20Script.py) file located in the AggregatorAdvisor.
|
| 64 |
|
| 65 |
|
| 66 |
## Quickstart Usage
|