@andrewwhite01 @DrBobClark1 @jwmay @baoilleach @andreasbender If it's of interest, I once looked at collisions occurring even before the folding / mod hashing, so increasing the length of the binary fp is only part of the solution. E.g. ChEMBL24 encoded wi
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11,504 followers
So many people using ECFP / Morgan fingerprints at #AIChem21 while MHFP is just a from rdkit.Chem.rdMHFPFingerprint import MHFPEncoder MHFPEncoder().EncodeSmiles("Cc1cnnc1") away 😊 Check out a notebook: https://t.co/kz5ucrvaeg Check out the paper: http
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RT @hirokaneko226: ECFPに基づく新しいfingerprintであるMHFP6(MinHash fingerprint, up to six bonds)の論文。各原子周りの6つの結合までのすべての環状構造をSMILESで取り出しMinHash法を利用。EC…
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RT @hirokaneko226: ECFPに基づく新しいfingerprintであるMHFP6(MinHash fingerprint, up to six bonds)の論文。各原子周りの6つの結合までのすべての環状構造をSMILESで取り出しMinHash法を利用。EC…