TCMIO, a comprehensive database of Traditional Chinese Medicine on Immuno-Oncology, for exploring the molecular mechanisms of TCM in modulating cancer immune microenvironment. Many herbs or ingredients from TCM have shown immune immunomodulatory function and anti-tumor effects via targeting the immune system. There is a close relationship between TCM and IO. However, the knowledge of underlying mechanisms is limited due to the complexity of TCM with multiple ingredients acting on multiple targets.
DeepScreening is a user-friendly web server for constructing deep learning models using public dataset or user provided dataset, which would help biologist and chemist virtual screening the chemical probes or drugs for a specific target of interest. With DeepScreening, user could conveniently construct a deep learning model and generate target focused de novo libraries. The constructed classification and regression models could be subsequently used for virtual screening against the various chemical libraries.
DenovoProfiling, a webserver dedicated for de novo generated molecule library profiling. We aim to provide a user-friendly public webserver to support the structure and chemical space visualization, ADMET prediction, molecular alignment, drugs profiling, targets and pathway profiling. We integrated cheminformatics tools and databases to provide comprehensive annotations for the de novo generated molecules. We believe that DenovoProfiling could be an efficient tool for user to capture the knowledge of de novo generated molecules quickly.