Dear Takayuki,
On Aug 1, 2015, at 3:54 AM, Taka Seri wrote:
Why the [MACCSkeys] bit length is not 166 bit ?
The RDKit MACCS implementation follows the MACCS key assignments, which start
at 1. MACCS bit 0 is always set to 0, bit 1 corresponds to key 1, etc., so key
166 is at bit 166,
Dear Andrew,
Thank you for your quick reply.
I understood it.
It was helpful information for me!
Best regards,
Takayuki
2015年8月1日(土) 16:01 Andrew Dalke da...@dalkescientific.com:
Dear Takayuki,
On Aug 1, 2015, at 3:54 AM, Taka Seri wrote:
Why the [MACCSkeys] bit length is not 166 bit ?
Dear all,
I have a question about MACCSkeys.
I checked number of keys using MACCSkeys.smartsPatts, the result was 166.
But when I calculated MACCSkeys-fingerprint, the length of fingerprint was
167bit.
Why the bit length is not 166 bit ?
In [1]: from rdkit import Chem
In [2]: from rdkit.Chem
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