Field-Based QSAR 2022-2

Field-Based QSAR: Discover and optimize new lead compounds using quantitative predictions of binding-site chemistry
Field-Based QSAR opens up new possibilities in ligand-based drug discovery projects. Supplied with an aligned training set of active and inactive compounds, Field-Based QSAR predicts drug activity on the basis of either force fields or Gaussian fields that describe ligand chemistry.

• Category High Performance Scientific/Technical Computing (HPC)
• Highlights

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