22 March 2022 / Last updated : 30 March 2022 Rudy Potenzone AI/ML Compound–protein interaction prediction by deep learning: Databases, descriptors and models
22 March 2022 / Last updated : 30 March 2022 Rudy Potenzone AI/ML Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network
10 June 2022 / Last updated : 30 September 2022 Rudy Potenzone AI/ML The LOTUS initiative for open knowledge management in natural products research The LOTUS initiative for open knowledge management in natural products research
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
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone AI/ML Machine Learning guided early drug discovery of small molecules Machine Learning guided early drug discovery of small molecules
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone AI/ML MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
18 May 2022 / Last updated : 9 June 2022 Rudy Potenzone AI/ML Bayesian multi-model-based 13C15N-metabolic flux analysis quantifies carbon-nitrogen metabolism in mycobacteria Bayesian multi-model-based 13C15N-metabolic flux analysis quantifies carbon-nitrogen metabolism in mycobacteria
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone AI/ML Reconstruction of lossless molecular representations Reconstruction of lossless molecular representations
18 May 2022 / Last updated : 16 August 2022 Rudy Potenzone AI/ML Automated generation of molecular derivatives – DerGen software package Automated generation of molecular derivatives – DerGen software package
