18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Science TUCAN: A molecular identier and descriptor applicable to the whole periodic table from hydrogen to oganesson TUCAN: A molecular identier and descriptor applicable to the whole periodic table from hydrogen to oganesson
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Drug Discovery Predicting biochemical and physiological effects of natural products from molecular structures using machine learning Predicting biochemical and physiological effects of natural products from molecular structures using machine learning
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Science Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Science A general procedure for rounding m/z values in low-resolution mass spectra A general procedure for rounding m/z values in low-resolution mass spectra
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
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Development SELFIES and the future of molecular string representations SELFIES and the future of molecular string representations
18 May 2022 / Last updated : 18 May 2022 Rudy Potenzone Drug Discovery INPUT: An intelligent network pharmacology platform unique for traditional Chinese medicine INPUT: An intelligent network pharmacology platform unique for traditional Chinese medicine
