YANGJJ93_MS

icon company NTU icon location singapore icon location Mass spectrometry datamining, developing algorithms for targeted and untargeted chemical screening (NTA), QSAR based chemical property prediction

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rcdk::matches() function bugs

Dear Rajarshi, Thank you for your reply! I found that the rdkit substructer matching fucntion did the same mistake. Please kindly find the picture below: ![figure-cdkit](https://user-images.githubusercontent.com/95535327/218698342-f8a69765-9f7f-47f7-8e53-e16b0fb11583.png) As a matter of...