Publications by authors named "Veerupaksh Singla"
Article Synopsis
- Generative models for designing molecules have not shown significant improvements over traditional expert intuition, particularly in predicting specific properties due to limited data availability.
- A major challenge is that there are often very few samples for desired properties, making it hard to accurately map properties to molecular structures.
- The authors propose that providing multiple properties during training can enhance the accuracy of generative models, leading to new models they call "large property models" (LPMs) which incorporate a wealth of available chemical property data to improve predictions.
Mass spectrometry imaging (MSI) is a powerful technique for the label-free spatially resolved analysis of biological tissues. Coupling ion mobility (IM) separation with MSI allows for separation of isobars in the mobility dimension and increases confidence of peak assignments. Recently, imaging experiments have been implemented on several commercially available and custom-designed ion mobility instruments, making IM-MSI experiments more broadly accessible to the MS community.
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