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WIREs Comput Mol Sci
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Selectivity in organocatalysis—From qualitative to quantitative predictive models

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Alistair J. Sterling, Stamatia Zavitsanou, Joseph Ford, Fernanda Duarte
Published Online: Feb 18 2021
DOI:10.1002/wcms.1518

Abstract Full article on Wiley Online Library:   HTML | PDF
Toxicity prediction based on artificial intelligence: A multidisciplinary overview

Overview
José Ignacio López Sánchez, José Manuel Moreno Rojas, María Dolores Cima Cabal, Gerardo David Blanco Díaz, María Del Mar García Suárez, Mariano González García, Raquel Rodríguez Solana, Efrén Pérez Santín
Published Online: Feb 02 2021
DOI:10.1002/wcms.1516

Abstract Full article on Wiley Online Library:   HTML | PDF
Surviving the deluge of biosimulation data

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Adam Hospital, Federica Battistini, Robert Soliva, Josep Lluis Gelpí, Modesto Orozco
Published Online: Nov 21 2019
DOI:10.1002/wcms.1449

Abstract Full article on Wiley Online Library:   HTML | PDF

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