De novo drug design based on Stack-RNN with multi-objective reward-weighted sum and reinforcement learning
Pengwei Hu, Jinping Zou, Jialin Yu, Shaoping Shi
Topics & Concepts
Reinforcement learningComputer scienceProcess (computing)Artificial neural networkScratchArtificial intelligenceMachine learningMathematical optimizationMathematicsOperating systemComputational Drug Discovery MethodsMachine Learning in Materials ScienceMachine Learning in Bioinformatics