Performance of chemical structure string representations for chemical image recognition using transformers
Kohulan Rajan, Christoph Steinbeck, Achim Zielesny
Abstract
The most commonly used molecular string representations in deep learning for chemical image recognition.
Topics & Concepts
TransformerString (physics)Computer scienceArtificial intelligenceImage (mathematics)Pattern recognition (psychology)Natural language processingPhysicsTheoretical physicsQuantum mechanicsVoltageComputational Drug Discovery MethodsMachine Learning in Materials ScienceAnalytical Chemistry and Chromatography