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Theoretical and Computational Chemistry

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Aditi Seshadri

3 results in Authors: Aditi Seshadri

Theoretical and Computational Chemistry

Why does that molecule smell?

Aditi Seshadri, Heta A. Gandhi, Geemi P. Wellawatte, Andrew D. White

Version 1 posted 08 December 2022

2,202

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1

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Theoretical and Computational Chemistry

A Perspective on Explanations of Molecular Prediction Models

Geemi P. Wellawatte, Heta A. Gandhi, Aditi Seshadri, Andrew D. White

Version 1 posted 09 December 2022

1,380

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1

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Theoretical and Computational Chemistry

Model agnostic generation of counterfactual explanations for molecules

Geemi P Wellawatte, Aditi Seshadri, Andrew D White

Version 2 posted 06 September 2021

2,499

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1

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