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Chematica: A Story of Computer Code That Started to Think like a Chemist

artículo científico publicado en 2018

Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling

artículo científico publicado en 2022

Computer-Assisted Planning of Hydroxychloroquine’s Syntheses Commencing from Inexpensive Substrates and Bypassing Patented Routes

article published in 2020

Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir

scientific article published on 10 June 2020

Discovery and Enumeration of Organic-Chemical and Biomimetic Reaction Cycles within the Network of Chemistry

artículo científico publicado en 2018

Doping of GaN with Fe and Mg for spintronics applications

Linguistic measures of chemical diversity and the "keywords" of molecular collections

artículo científico publicado en 2018

ParamagneticGaN:Feand ferromagnetic(Ga,Fe)N: The relationship between structural, electronic, and magnetic properties

scholarly article in Physical Review B, vol. 75 no. 12, March 2007

Plasmon-cyclotron resonance in two-dimensional electron gas confined at theGaN∕AlxGa1−xNinterface

scholarly article in Physical Review B, vol. 76 no. 4, July 2007

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution

artículo científico publicado en 2020

Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry

artículo científico publicado en 2020

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