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Theoretical and Computational Chemistry

First report of q-RASAR modeling towards an approach of easy interpretability and efficient transferability

Arkaprava Banerjee, Kunal Roy

Version 1 posted 18 April 2022

389

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2

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Theoretical and Computational Chemistry

Quantitative Predictions from Chemical Read-Across and Their Confidence Measures

Arkaprava Banerjee, Mainak Chatterjee, Priyanka De, Kunal Roy

Version 1 posted 30 May 2022

311

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2

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Theoretical and Computational Chemistry

Effectiveness of molecular fingerprints for exploring the chemical space of natural products

Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan Sieber

Version 2 posted 21 December 2023

578

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