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[ Molecular Descriptors ] ECFPs, Morgan

Molecular Structure을 컴퓨터가 이해하기위해 숫자화된 Molecular Descriptors로 바꿔야 한다. Constitutional descriptors - molecular weight, # of H-bonds ,,, Physicochemical descriptors - lipophilicity, polarizability ,,, Topological descriptors - atomic branching ,,, Electric, geometrical, and quantum-chemical descriptors Fragmental/Structural Keys (Finger Print) - MACCS keys, ECFP Descriptor ..
Drug 2022. 1. 13. 23:10
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