{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/deep-graph-convolutional-network-and-lstm","title":"Deep Graph Convolutional Network and LSTM based approach for predicting drug-target binding affinity","arxiv_id":"2201.06872","date":"2022-01-18","proceeding":null,"authors":["Shrimon Mukherjee","Madhusudan Ghosh","Partha Basuchowdhuri"],"abstract":"Development of new drugs is an expensive and time-consuming process. Due to the world-wide SARS-CoV-2 outbreak, it is essential that new drugs for SARS-CoV-2 are developed as soon as possible. Drug repurposing techniques can reduce the time span needed to develop new drugs by probing the list of existing FDA-approved drugs and their properties to reuse them for combating the new disease. We propose a novel architecture DeepGLSTM, which is a Graph Convolutional network and LSTM based method that predicts binding affinity values between the FDA-approved drugs and the viral proteins of SARS-CoV-2. Our proposed model has been trained on Davis, KIBA (Kinase Inhibitor Bioactivity), DTC (Drug Target Commons), Metz, ToxCast and STITCH datasets. We use our novel architecture to predict a Combined Score (calculated using Davis and KIBA score) of 2,304 FDA-approved drugs against 5 viral proteins. On the basis of the Combined Score, we prepare a list of the top-18 drugs with the highest binding affinity for 5 viral proteins present in SARS-CoV-2. Subsequently, this list may be used for the creation of new useful drugs.","url_abs":"https://arxiv.org/abs/2201.06872v1","url_pdf":"https://arxiv.org/pdf/2201.06872v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"deep-graph-convolutional-network-and-lstm","repo_url":"https://github.com/mllab4cs/deepglstm","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"pytorch","reach":null}],"tasks":[{"task_slug":"drug-discovery","task_name":"Drug Discovery"}],"methods":[{"method_slug":"lstm","method_name":"LSTM"},{"method_slug":"sigmoid-activation","method_name":"Sigmoid Activation"},{"method_slug":"tanh-activation","method_name":"Tanh Activation"}],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}