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Pharmacelera workflows

This directory contains 3 workflows.

IconEWDD - Workshop_​02 

Screening on. 12M of compounds

IconEWDD - Worshop_​01 

3D Molecular Field Screening (PharmScreen)

IconPharmQSAR workflow 

Input Data: %%00009- Training and test (SDF). %%00009- Reference molecule (SDF). %%00009- Activity Data (CSV). %%00009- Molecules to predict the activity […]