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