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22.9 MolScreen		Next
MolScreen provides a comprehensive panel of pre-built 2D and 3D models for pharmacology and toxicology targets, enabling rapid ligand profiling and target prediction. By combining machine learning and neural network models with fingerprint-based methods and 3D Atomic Property Field (APF) approaches, MolScreen supports efficient screening across thousands of targets, enabling applications such as lead discovery, off-target profiling, and drug repurposing within a unified framework.

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Molecular Dynamics

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