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List of works by Peter C. St. John

A Quantitative Model for the Prediction of Sooting Tendency from Molecular Structure

Bayesian inference of metabolic kinetics from genome-scale multiomics data

scientific article published on 04 November 2019

Estimating confidence intervals in predicted responses for oscillatory biological models

scientific article

Message-passing neural networks for high-throughput polymer screening

scientific article published on 01 June 2019

Metabolic Engineering of Actinobacillus succinogenes Provides Insights into Succinic Acid Biosynthesis

scientific article published on 16 June 2017

Predicting energy and stability of known and hypothetical crystals using graph neural network

scientific article published in 2021

Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 May 2020

Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 June 2020

Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

scientific article published on 21 July 2020

Real-time prediction of ¹H and ¹³C chemical shifts with DFT accuracy using a 3D graph neural network

scientific article published in 2021

Software and Methods for Computational Flux Balance Analysis

scientific article published on 01 January 2020

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