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0
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Data-driven construction of an imine reductase library capable of broad-scope reductive amination at equimolar substrate concentrations.
(nature.com)
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Berger SA
…
Schrittwieser JH
Nature Communications
2026-08-22
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#biocatalysis
#enzyme-engineering
#machine learning
#stereoselectivity
#screening
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0
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GRASSP: RNA Language Model-Enhanced Graph Attention with Adaptive Gating for RNA-Small Molecule Binding Site Prediction.
(academic.oup.com)
|
Nguyen TL
…
Quoc Khanh Le N
Bioinformatics
2026-08-22
|
#rna
#binding
#machine learning
#drug discovery
#structure prediction
|
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0
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Searching the Druggable Genome using Large Language Models.
(academic.oup.com)
|
Schimmelpfennig L
…
Griffith OL
Bioinformatics
2026-08-22
|
#pharmacogenomics
#bioinformatics
#drug discovery
#machine learning
|
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0
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ToxiVerse: chemical bioprofiling, toxicity data sharing and customizable predictive modeling.
(academic.oup.com)
|
Durai P
…
Zhu H
Bioinformatics
2026-08-22
|
#toxicology
#cheminformatics
#qsar
#machine learning
#predictive modeling
|
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0
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Exploring the chemical space of transition-metal cluster thermodynamics via automated first-principles calculations and machine learning.
(nature.com)
|
Li NZ
…
He SG
Nature Communications
2026-08-22
|
#thermodynamics
#machine learning
#computational chemistry
|