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Top Stories published by chemoinformatics in July of 2021
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2021
July
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Maxim Shevelev
in
chemoinformatics
Jul 3, 2021
Quick Hacks #4: Extracting the .sdf field values into a file.
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Maxim Shevelev
in
chemoinformatics
Jul 3, 2021
What’s in JCIM (#1)
Review of some papers from recent JCIM issue: quantum machine learning for drug…
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1
Maxim Shevelev
in
chemoinformatics
Jun 30, 2021
Today on arXiv (#1)
Recent chemoinformatics pre-prints from arXiv: using ensembles of graph neural networks, making transformers geometry-aware, and more!
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1
Maxim Shevelev
in
chemoinformatics
Jul 9, 2021
Today on arXiv (#4)
Recent arXiv preprints: predicting synergistic drug combinations and computer…
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1
Maxim Shevelev
in
chemoinformatics
Jul 2, 2021
Today on arXiv (#2)
Today on arXiv: a dataset of quantum properties for drug-like molecules, a new optimization method for VAE generation, and more!
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Maxim Shevelev
in
chemoinformatics
Jul 7, 2021
Today on arXiv (#3)
Recent pre-prints: optimizing MD simulations with particle swarm optimization…
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1
Maxim Shevelev
in
chemoinformatics
Jul 1, 2021
Today on arXiv (#2)
Recent arXiv pre-prints: learning to quickly model the ionic liquids and pre-processing existing graphs to increase the models’ performance
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June 2021
About
chemoinformatics
This blog is about chemoinformatics and its application to design of novel drugs. We review recent articles and discuss current state-of-the-art approaches in the field.
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Maxim Shevelev