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June 10, 2022 / Last updated : June 10, 2022 Rudy Potenzone

canSAR chemistry registration and standardization pipeline

canSAR chemistry registration and standardization pipeline

June 10, 2022 / Last updated : June 10, 2022 Rudy Potenzone

COMPARISON OF NON-LEARNED AND LEARNED MOLECULE REPRESENTATIONS FOR CATALYST DISCOVERY

COMPARISON OF NON-LEARNED AND LEARNED MOLECULE REPRESENTATIONS FOR CATALYST DISCOVERY

June 10, 2022 / Last updated : June 10, 2022 Rudy Potenzone

Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system

Updating the Dermal Sensitisation Thresholds using an expanded dataset and an in silico expert system

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

June 10, 2022 / Last updated : June 10, 2022 Rudy Potenzone

BioHackathon 2015: Semantics of data for life sciences and reproducible research

BioHackathon 2015: Semantics of data for life sciences and reproducible research

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

February 25, 2022 / Last updated : March 23, 2022 Rudy Potenzone Development

ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

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

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