the number of linker

[pan xiaolin]

Why can DeepFrag only connect with a single linker? Could you tell me what are the difficulties in implementing fragment modification of double linker or multi linker?

[Jacob Durrant]

Hi Pan. Much thanks for your interest in DeepFrag. Linking fragments and adding fragments may seem similar from a human perspective, but they are really two fundamentally different tasks. DeepFrag will only perform well on the task it’s trained to perform. It has no way of extrapolating to a different task.

We are very interested in fragment linking, though, and have looked into this question some. We may publish a DeepFrag-like tool for fragment linking in the future.

Take care,

Jacob

[Author]

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