AutoDesigner User Manual — Contents

AutoDesigner is an automated, large-scale molecular design engine that explores chemical space through core, R-group, and linker design, using docking-based scoring and filtering to generate and optimize compounds.

The AutoDesigner User Manual provides best practices together with detailed documentation for the Core Design and R-Group Design workflows and an overview of de novo design with AutoDesigner. The workflow topics describe how to prepare Glide inputs, configure the filtering cascades, and set up, run, and interpret each design mode.

---