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cs.LG2026
Improving Molecular-Morphology Contrastive Pretraining using Deep-Learning-based Morphology Profiles
Jie Li, Kathryn E. Kirchoff, Dante A. Pertusi +1
Recent advancements in image-based profiling techniques have enabled the collection of high-volume cell morphology data, allowing new molecular embedding models to learn from the e…
cs.LG2023
SALSA: Semantically-Aware Latent Space Autoencoder
Kathryn E. Kirchoff, Travis Maxfield, Alexander Tropsha +1
In deep learning for drug discovery, chemical data are often represented as simplified molecular-input line-entry system (SMILES) sequences which allow for straightforward implemen…