Intelligent Recombination and Enumeration

The cores and daughters can be recombined in innumerable permutations and combinations. To limit numbers to manageable levek, we chose to fix the cores with only one point of attachment 

Once we generated cores and daughters, we combined them into full molecules by computational enumeration of each core with all daughters 

Using the above mentioned parameters, we generated a virtual library of enumerated products. 

we moved to the critical phase of evaluation of our methodology. First, we scored the output of this hit generation technique using a few in silico 

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