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Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors | Nature Communications
EXPLORING CHEMICAL SPACE FOR DRUG DISCOVERY Daniel Svozil Laboratory of Informatics and Chemistry. - ppt download
Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors | Journal of Cheminformatics | Full Text
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Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks | Scientific Reports
DNA-encoded chemistry: enabling the deeper sampling of chemical space | Nature Reviews Drug Discovery
Machine learning in chemical reaction space | Nature Communications
The next level in chemical space navigation: going far beyond enumerable compound libraries - ScienceDirect
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PDF) Navigating chemical space for biology and medicine
How to explore chemical space using algorithms and automation | Nature Reviews Chemistry
Exploring chemical space | Nature Reviews Drug Discovery
Chemical space and biology | Nature
Defining new chemical space for drug penetration into Gram-negative bacteria | Nature Chemical Biology
Exploring the chemical space of the human microbiome | Nature Methods
How to explore chemical space using algorithms and automation | Nature Reviews Chemistry
Nature Chemistry - The July issue of Nature Reviews Chemistry is live! • Quantum-based ML to explore chemical space • The physics behind the periodic table • Biocatalytic C–C bond formation and
Navigating chemical space for biology and medicine | Nature
