DNMG: Deep molecular generative model by fusion of 3D information for de novo drug design
Tao Song, Yongqi Ren, Shuang Wang, Peifu Han, Lulu Wang, Xue Li, Alfonso Rodríguez‐Patón
Topics & Concepts
Computer scienceDeep learningChemical spaceGenerative grammarGenerative adversarial networkString (physics)Interaction informationArtificial intelligenceComputational biologyGenerative modelDrug discoveryGraphTheoretical computer scienceBiologyBioinformaticsPhysicsQuantum mechanicsStatisticsMathematicsComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science