Similarity screening with RDKit #RDKit #SimilarityScreener #memo #cheminformatics Similarity based screening is one of the common way to explore SAR rapidly. For example if you got hit compound but lack of human resources for making analogue compounds, catalogue SAR is useful way to expand SAR. Of course 'SIMILARITY' is really difficut term in cheminfomratics. There are lots of metrics for measuring compound similarity. I will not describe the topic in this post 🙂

Similarity screening with RDKit #RDKit #SimilarityScreener #memo #cheminformatics

Similarity based screening is one of the common way to explore SAR rapidly. For example if you got hit compound but lack of human resources for making analogue compounds, catalogue SAR is useful way to expand SAR. Of…