Deep graph learning in molecular docking: Advances and opportunities
One of the main computational tools for structure-based drug discovery is molecular docking. Due to the natural representation of molecules as graphs (a set of nodes/atoms connected through edges/bonds), Deep Graph Learning has been successfully applied for multiple tasks on this area. This work pre...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-12-01
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| Series: | Artificial Intelligence in the Life Sciences |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667318523000065 |