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Hipshotopotamus t1_j7mjbiq wrote

Do you start with active sites and conformation and then try to identify a match from ChEMBL? How do you pick where to start?

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IHaque_Recursion t1_j7n0hnm wrote

We actually don’t start our drug discovery efforts from single targets – check out my earlier reply in the AMA for more details. ChEMBL certainly is an excellent source of structural information, but our insights come not from these data, but rather from high-dimensional relationships between cells treated with compounds and genetic knockout. We advance series of compounds using this data prior to having any information about the target itself.

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