Skip to content
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
Python
Branch: master
Clone or download
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Type Name Latest commit message Commit time
Failed to load latest commit information.
example Add an example Feb 19, 2018
.gitignore
LICENSE
README.md
classification_model.7z.001
classification_model.7z.002
classification_model.7z.003
classification_model.7z.004
classification_model.7z.005
classification_model.7z.006
classification_model.7z.007
classification_model.7z.008
classification_model.7z.009
classification_model.7z.010
classification_model.7z.011
classification_model.7z.012
classification_model.7z.013
classification_model.7z.014
classification_model.7z.015
classification_model.7z.016
classification_model.7z.017
classification_model.7z.018
classification_model.7z.019
classification_model.7z.020
classification_model.7z.021
classification_model.7z.022
classification_model.7z.023
classification_model.7z.024
classification_model.7z.025
classification_model.7z.026
classification_model.7z.027
classification_model.7z.028
classification_model.7z.029
classification_model.7z.030
classification_model.7z.031
classification_model.7z.032
classification_model.7z.033
classification_model.7z.034
classification_model.7z.035 Add files via upload Feb 19, 2018
regression_model.7z.001
regression_model.7z.002
regression_model.7z.003
regression_model.7z.004
regression_model.7z.005
regression_model.7z.006
regression_model.7z.007
regression_model.7z.008
regression_model.7z.009
regression_model.7z.010
regression_model.7z.011
regression_model.7z.012
regression_model.7z.013
regression_model.7z.014
regression_model.7z.015
regression_model.7z.016
regression_model.7z.017 Add files via upload Feb 19, 2018
regression_model.7z.018 Add files via upload Feb 19, 2018
regression_model.7z.019
regression_model.7z.020
regression_model.7z.021
regression_model.7z.022

README.md

ADMETlab

A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
The platform is avaliable at: http://admet.scbdd.com

Features

  1. Well optimized SAR models with better performance than state-of-the-art models.
  2. User-friendly interface and easy to use.
  3. Support batch computation.
  4. Systematically evaluate molecular druggability.
  5. Provide constructive suggestions for molecular optimization.

About this repository.

This repository provides models of ADMETlab in binary files for expert users. The ordinary users are suggested to use the ADMETlab server to accomplish all related prediction or analysis tasks because of the convenience and no programming requirements.

The expert users could download these models to carry out further research. To use the model, download all the zipped files and unzip, then calculate the descriptors according to the "Documentation" section, then load the model to predict. The example folder contains an example. In the command line, input:

python run.py


and you could get the results.

About the algorithms and explanation.

The modeling process including descriptors, methods, feature selection and model performance has been detailedly described in the "Documentation" section of the website.

Contact.

If you have questions or suggestions, please contact: biomed@csu.edu.cn and oriental-cds@163.com

Please see the file LICENSE for details about the "New BSD" license which covers this software and its associated data and documents.

You can’t perform that action at this time.