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Blueprint for cancer research: Critical gaps and opportunities
Ca-A Cancer Journal for Clinicians, 2021J Bonilla, C D Booth, D Boscherini
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Free and open source software for computational chemistry education
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022Susi Lehtola, Antti J Karttunen
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The challenge of predicting distal active site mutations in computational enzyme design
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021Sílvia Osuna
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Computation and Computers in Chemistry
2018This chapter provides an overview of computation and computers in chemistry. Devising an experiment or analysing its results usually involves some calculation or other. A more fundamental role for computation is to work out the details of the prediction of a particular chemical theory.
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Computational Medicinal Chemistry
Journal of Medicinal Chemistry, 2010Jürgen Bajorath, Martin Stahl
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Computational organic chemistry
Annual Reports Section "B" (Organic Chemistry), 2008openaire +1 more source
Advances and Open Problems in Federated Learning
Foundations and Trends in Machine Learning, 2021Han Yu, Ana Cecilia Boetto
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A critical overview of computational approaches employed for COVID-19 drug discovery
Chemical Society Reviews, 2021Alexander Tropsha +2 more
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