Large-Scale Floes Hit-to-Lead Documentation

These floes are useful analysis tools that were originally designed to accompany large-scale virtual screening floes, such as Gigadock Warp and FastROCS Plus. The new package places these floes in both the Hit Identification and Lead Optimization Modules since they can be used after classic docking or ROCS tools for later stages of drug discovery.

Explanations

• Pareto Frontier Explanation

Floe Reference Documentation

• Multi Query 2D Similarity
• Pareto Frontier Consensus

Release Notes

• Large-Scale Floes Hit-to-Lead Release Notes

Legacy Release Notes

• Release Notes