Inventum.AI: An Automated Drug Design Platform with Integrated Pseudo-Ligand Representation for Ligand Generation, Binding Site Annotation, and Affinity Prediction

Ruslan Lukin, Grigorev Rostislav, Mikhail Arkhipov, Ilia Ivanov, Vladislav Savchuk, Sergei Evteev, Alexey Ereshchenko, Ramil Kuleev, Ksenia Fedisheva

Keywords: Drug Design, Graph Neural Networks, Structure-based drug design, Drug Discovery, Generative Modelling

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Submission Number: 295