The transformational role of GPU computing and deep learning in drug discovery
Mohit Pandey, Michael Fernández, Francesco Gentile, Olexandr Isayev, Alexander Tropsha, Abraham C. Stern, Artem Cherkasov
Topics & Concepts
Drug discoveryComputer scienceDeep learningData scienceArtificial intelligenceField (mathematics)Parallelizable manifoldLead (geology)Machine learningBioinformaticsAlgorithmPure mathematicsBiologyGeologyGeomorphologyMathematicsComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics