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Jon Paul Janet

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 13

Top Venues

Communications chemistry

Chemical science

The journal of physical chemistry. A

The journal of physical chemistry letters

University of the Witwatersrand

Technische Universität Berlin (MSC)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of the Witwatersrand

South Africa

RA/TA :: Chemical Engineering

Education History

Technische Universität Berlin

Germany

MSC :: Mathematics

Publications

David Buterez, Jon Paul Janet, Steven J Kiddle, Dino Oglic, Pietro Liò
Modelling local and general quantum mechanical properties with attention-based pooling. Communications chemistry 6 (1) (2023)
J Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L de Groot, Vytautas Gapsys
Automated relative binding free energy calculations from SMILES to ΔΔG. Communications chemistry 6 (1) (2023)
J Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L de Groot, Vytautas Gapsys
Automated relative binding free energy calculations from SMILES to ΔΔG. Communications chemistry 6 (1) (2023)
J Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L de Groot, Vytautas Gapsys
Automated relative binding free energy calculations from SMILES to ΔΔG. Communications chemistry 6 (1) (2023)
David Buterez, Jon Paul Janet, Steven J Kiddle, Pietro Liò
MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning. Journal of chemical information and modeling (2023)
J Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L de Groot, Vytautas Gapsys
Automated relative binding free energy calculations from SMILES to ΔΔG. Communications chemistry 6 (1) (2023)
Michael G Taylor, Tzuhsiung Yang, Sean Lin, Aditya Nandy, Jon Paul Janet, Chenru Duan, Heather J Kulik
Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions. The journal of physical chemistry. A 124 (16) (2020)
Jon Paul Janet, Chenru Duan, Tzuhsiung Yang, Aditya Nandy, Heather J Kulik
A quantitative uncertainty metric controls error in neural network-driven chemical discovery. Chemical science 10 (34) (2019)
Chenru Duan, Jon Paul Janet, Fang Liu, Aditya Nandy, Heather J Kulik
Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models. Journal of chemical theory and computation 15 (4) (2019)
Jon Paul Janet, Fang Liu, Aditya Nandy, Chenru Duan, Tzuhsiung Yang, Sean Lin, Heather J Kulik
Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry. Inorganic chemistry 58 (16) (2019)
Jon Paul Janet, Lydia Chan, Heather J Kulik
Accelerating Chemical Discovery with Machine Learning: Simulated Evolution of Spin Crossover Complexes with an Artificial Neural Network. The journal of physical chemistry letters 9 (5) (2018)
Jon Paul Janet, Heather J Kulik
Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure-Property Relationships. The journal of physical chemistry. A 121 (46) (2017)
Jon Paul Janet, Heather J Kulik
Predicting electronic structure properties of transition metal complexes with neural networks. Chemical science 8 (7) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jon Paul Janet