Skip to content

My solution to our assignment for predicting the outcome of an AMES test based on different descriptor sets.

Notifications You must be signed in to change notification settings

ffstghc/Assignment_Machine_Learning_AMES_Prediction

Repository files navigation

My solution to our ungraded assignment using scikit-learn for the "Preclinical and Clinical Data Analysis in Predictive Drug Discovery/Development" course.

The task was building a model and predicting the outcome of an AMES test for at least one of the provided test sets, while evaluating the accuracy of the model.

Features:
- Option to choose dataset for training/testing
- Option to use Gridsearch for models or use fixed parameters
- Confusion matrices and accuracy scores for all algorithms
- Export results for test set for Random Forest as .TXT file

Classifiers:
- Support Vectors Machine
- K Nearest Neighbors
- Random Forest
- Gradient Boosted Decision Trees
- Simple Neural Network (Multilayer Perceptron)

About

My solution to our assignment for predicting the outcome of an AMES test based on different descriptor sets.

Topics

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages