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March 2, 2022 / Last updated : March 30, 2022 Rudy Potenzone AI/ML Molecular Design Learned from the Natural Product Porphyra-334: Molecular Generation via Chemical Variational Autoencoder versus Database Mining via Similarity Search, A Comparative Study
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February 4, 2022 / Last updated : March 23, 2022 Rudy Potenzone Drug Discovery Acyl-CoA Identification in Mouse Liver Samples Using the In Silico CoA-Blast Tandem Mass Spectral Library
February 28, 2022 / Last updated : March 23, 2022 Rudy Potenzone Drug Discovery Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study
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February 21, 2022 / Last updated : March 23, 2022 Rudy Potenzone Science Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning
February 19, 2022 / Last updated : March 23, 2022 Rudy Potenzone Science DrugShot: querying biomedical search terms to retrieve prioritized lists of small molecules