Artificial Intelligence; Dataset; Coronavirus Disease 2019; COVID-19 Diagnosis; Imaging Processing; Machine Learning; Health; Biomedical and Health Sciences; Medical ImagingCOVID-19;

During our research in generating or optimizing molecules to be drug candidates by extending deep reinforcement learning and graph neural networks algorithms, we used GEOM data [1], and we had an idea to make a dataset obtained from molecules from GEOM to predit the activity towards COVID and the drug linkeness. We calculated over 200 descriptors for the molecules using RDKit [2]. We hope you enjoy using it.

References: