Link-INVENT: generative linker design with reinforcement learning
Jeff Guo, Franziska Knuth, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov
Abstract
Link-INVENT enables design of PROTACs, fragment linking, and scaffold hopping while satisfying multiple optimization criteria.
Topics & Concepts
Generative grammarLinkerReinforcement learningComputer scienceArtificial intelligenceProgramming languageProtein Degradation and InhibitorsAdvancements in Semiconductor Devices and Circuit DesignNanowire Synthesis and Applications