"Molecular_Descriptor of anti-breast cancer drugs"

"The dataset utilized in this study was generously provided by a professional pharmaceutical research and development (R&D) laboratory, which is dedicated to the discovery and optimization of novel drug candidates targeting estrogen receptor alpha (ER\u03b1) antagonists\u2014compounds with significant potential in the treatment of hormone-related diseases such as breast cancer. This comprehensive dataset is systematically divided into two mutually exclusive and complementary parts, namely a training set and a test set, each designed to fulfill distinct roles in the development and validation of predictive models for drug discovery.The training set, which serves as the foundation for model training and parameter optimization, comprises detailed experimental data for 1974 structurally and pharmacologically diverse ER\u03b1 antagonist compounds. This set is rich in multi-dimensional information, covering three core categories of data that are essential for building reliable predictive models for drug bioactivity and safety evaluation.Overall, this dataset provides a comprehensive and high-quality resource for the development, validation, and application of predictive models in ER\u03b1 antagonist drug discovery, bridging the gap between molecular structure, bioactivity, and druggability, and offering valuable support for pharmaceutical R&D efforts"