string to fingerprint

Groups Cheminformatics
1

Hi,

I have converted a cdk-pubchem fingerprint to string , then randomly changed some bits. I get an error “String does not match correct pattern for required cell type”, while converting back to a fingerprint using the “Fingerprint from String” node.

I used perl substr and s/0/1/g regex to flip bits.

2

If that is the Fingerprint From String node in the Vernalis contribution, then if you have a string of 1’s and 0’s to represent your fingerprint, you need to use the Fingerprint From Binary String node.

Steve

3

Worked like a Charm Steve! Thanks

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