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List of works by Jon Paul Janet

A quantitative uncertainty metric controls error in neural network-driven chemical discovery

scientific article published on 11 July 2019

Accelerating Chemical Discovery with Machine Learning: Simulated Evolution of Spin Crossover Complexes with an Artificial Neural Network.

scientific article published on 9 February 2018

Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

scientific article published on 11 March 2020

Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost.

scientific article published in November 2017

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

scientific article published on 05 March 2019

Enumeration of de novo inorganic complexes for chemical discovery and machine learning

scientific article published in 2020

Heterogeneous nucleation in CFD simulation of flashing flows in converging–diverging nozzles

Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models

scientific article published on 22 March 2019

Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design

Machine Learning Accelerates the Discovery of Design Rules and Exceptions in Stable Metal–Oxo Intermediate Formation

scientific article published on 23 July 2019

Machine Learning in Chemistry

scientific article published on 19 May 2020

Predicting electronic structure properties of transition metal complexes with neural networks

scientific article published on 17 May 2017

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure-Property Relationships.

scientific article published on 2 November 2017

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

scientific article published on 09 April 2020

Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry

scholarly article by Aditya Nandy et al published 24 September 2018 in Industrial & Engineering Chemistry Research

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