I posed python snippet yesterday, but it has bug. I revised the code. Following code include some filters. 1. avoid “nnn” 2. ratio of aromatic nitrogen must be thres.(default 0.4). This code is very slow. I want to improve the speed.
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I posed python snippet yesterday, but it has bug. I revised the code. Following code include some filters. 1. avoid “nnn” 2. ratio of aromatic nitrogen must be thres.(default 0.4). This code is very slow. I want to improve the speed.