PARP1 Inhibitors Discovery:Innovative Screening Strategies Incorporating Machine Learning and Fragment Replacement Techniques

The dataset contains the data from a paper entitled "PARP1 Inhibitors Discovery:Innovative Screening Strategies Incorporating Machine Learning and Fragment Replacement Techniques". Both the training and test sets used for machine learning model training and validation in the article are included. In addition, data for Z-score line chart generation is included in the dataset.