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Unveiling molecular signatures for precision drug design: machine learning insights from trypanothione reductase, PKC-θ, and CB1
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Correction: A novel ligand-based convolutional neural network for identification of P-glycoprotein ligands in drug discovery
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Design and synthesis of novel indolinone Aurora B kinase inhibitors based on fragment-based drug discovery (FBDD)
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Quantum chemical optimization and residue-specific stabilization of CDK20 inhibitors in hepatocellular carcinoma
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Bazi Bushen improves cognitive dysfunction in 5×FAD mice by targeting amyloid pathology, neuroinflammation and cellular senescence
Journal of Ethnopharmacology
2025-09-12
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery
Journal of Chemical Information and Modeling
2025-09-14
Characterization of the N‐Hydroxylating Monooxygenase TheA from Thermocrispum agreste Reveals a Broad Substrate Spectrum
ChemBioChem
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Dietary Modulation of CYP3A4 and Its Impact on Statins and Antidiabetic Drugs: A Narrative Review
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Predicting HOMO–LUMO Gaps Using Hartree–Fock Calculated Data and Machine Learning Models
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Cyclin‐Dependent Kinase 11: Cellular Functions and Potential Therapeutic Applications
ChemMedChem
2025-09-15
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