Geometric deep learning methods and applications in 3D structure-based drug design
Qifeng Bai, Tingyang Xu, Junzhou Huang, Horacio Pérez‐Sánchez
Topics & Concepts
Drug discoveryDrugComputer sciencePharmaceutical sciencesBiochemical engineeringArtificial intelligenceComputational biologyNanotechnologyData scienceMedicinePharmacologyEngineeringBioinformaticsMaterials scienceBiologyComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science