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Kinetic profiling of novel spirobenzo-oxazinepiperidinone derivatives as equilibrative nucleoside transporter 1 inhibitors
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
Pan-cancer functional analysis of somatic mutations in G protein-coupled receptors
Advances and Challenges in Computational Target Prediction
Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling
Blood-based metabolic signatures in Alzheimer's disease
Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization