Asset Detail:
Safety_Screen_Targets
Asset Detail:
Safety_Screen_Targets
Overview
| ASSET LINK: | https://modac.cancer.gov/assetDetails?dme_data_id=NCI-DME-MS01-15947903 |
| PROGRAM NAME: | Accelerating Therapeutics for Opportunities in Medicine (ATOM) |
| STUDY NAME: | Safety Screening |
| ASSET NAME: | Safety_Screen_Targets |
| ASSET PATH: | /NCI_DOE_Archive/ATOM/safety_screening/Safety_Screen_Targets |
Asset Attributes
| ATTRIBUTE | VALUE |
|---|---|
| ASSET NAME | Safety_Screen_Targets |
| ASSET DESCRIPTION | This asset contains datasets and models for safety screen targets. The datasets include raw data from DTC, ChEMBL, and ExCAPE-DB databases along with the Union train/test set data. The corresponding Union models had been trained on the target Union training set with ATOMs open-source AMPL software. Anyone can reuse machine learning models that evaluate small-molecule compound interactions against protein targets that are associated with drug toxicity. Users are recommended to read sst-ampl-1.4.0-README.rtf before downloading other files. |
| ASSET IDENTIFIER | Safety_Screen_Targets |
| ASSET TYPE | Model |
| DOI | https://doi.org/10.1021/acs.jcim.9b01053 |
| MODEL DOMAIN | Safety_Screen Model |
| MODEL FRAMEWORK | Scikit-learn |
| MODEL PLATFORM | AMPL with DeepChem |
| PLATFORM VERSION | 1.4.0 |
| POC NAME | Hiranmayi Ranganthan, Jonathan Allen, Titli Sarkar |
| POC EMAIL | ranganathan2@llnl.gov; allen99@llnl.gov, titli.sarkar@nih.gov |
| IS MODEL DEPLOYED | No |
| COLLECTION SIZE | 51.5 MB |
| DOI | https://doi.org/10.1021/acs.jcim.0c00950 |
| GITHUB LINK | https://github.com/ATOMconsortium/AMPL |
Asset Files
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| FILE/COLLECTION | FILE SIZE | ACTIONS |
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