Nature » Cheminformatics
Nature » Cheminformatics
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Cheminformatics is the use of computational and informational techniques to understand problems of chemistry. Read experts written articles, news reaches, and more on Cheminformatics. Nature Portfolio is here to serve the research community by publishing its most significant discoveries - findings that advance knowledge and address some of the greatest challenges that we face as a society today.
Predicting odor from vibrational spectra: a data-driven approach
Nature » Cheminformatics
by Durgesh Ameta et al.
1w ago
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Closed-loop transfer enables artificial intelligence to yield chemical knowledge
Nature » Cheminformatics
by Nicholas H. Angello et al.
1w ago
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An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates
Nature » Cheminformatics
by Alessio Macorano et al.
2w ago
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Exhaustive local chemical space exploration using a transformer model
Nature » Cheminformatics
by Alessandro Tibo et al.
2w ago
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A bioactivity foundation model using pairwise meta-learning
Nature » Cheminformatics
by Bin Feng et al.
3w ago
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IrCytoToxDB: a dataset of iridium(III) complexes cytotoxicities against various cell lines
Nature » Cheminformatics
by Lev Krasnov et al.
3w ago
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A large-scale reaction dataset of mechanistic pathways of organic reactions
Nature » Cheminformatics
by Shuan Chen et al.
3w ago
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PatCID: an open-access dataset of chemical structures in patent documents
Nature » Cheminformatics
by Lucas Morin et al.
3w ago
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Using neural networks to obtain NMR spectra of both small and macromolecules from blood samples in a single experiment
Nature » Cheminformatics
by Xiongjie Xiao et al.
3w ago
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Retrosynthesis prediction with an iterative string editing model
Nature » Cheminformatics
by Yuqiang Han et al.
3w ago
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