10 June 2022 / Last updated : 10 June 2022 Rudy Potenzone canSAR chemistry registration and standardization pipeline canSAR chemistry registration and standardization pipeline
10 June 2022 / Last updated : 10 June 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
10 June 2022 / Last updated : 10 June 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
2 March 2022 / Last updated : 30 March 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
10 June 2022 / Last updated : 10 June 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
4 February 2022 / Last updated : 23 March 2022 Rudy Potenzone Drug Discovery Acyl-CoA Identification in Mouse Liver Samples Using the In Silico CoA-Blast Tandem Mass Spectral Library
28 February 2022 / Last updated : 23 March 2022 Rudy Potenzone Drug Discovery Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study
25 February 2022 / Last updated : 23 March 2022 Rudy Potenzone Development ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images
21 February 2022 / Last updated : 23 March 2022 Rudy Potenzone Science Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning
19 February 2022 / Last updated : 23 March 2022 Rudy Potenzone Science DrugShot: querying biomedical search terms to retrieve prioritized lists of small molecules
