Structure briefs
Worked molecular comparisons, fingerprint interpretation and source-reading guides in Korean and English. This week· RSS
A worked EGFR comparison that separates molecular observations from experimental binding evidence.
BriefWhen similarity scores differ: six steps to reproduce a comparisonTrack molecular inputs, fingerprint settings and bit overlap before interpreting different scores.
BriefRead molecular identity before comparing structuresUse CID, SMILES and InChIKey together to distinguish records, representations and stereoisomers.
BriefWhat does a Tanimoto similarity of 0.8 mean?A worked example of fingerprint overlap, its calculation settings and its limits.
ComparisonKRAS comparisons: molecular structure and binding stateRead sotorasib and adagrasib independently, and distinguish daraxonrasib’s RAS(ON) approach.
ComparisonAn ADC payload drawing is not the whole ADCCompare MMAE and DM1 at the molecular level, then keep antibody, linker and conjugation information separate.
BriefThe same formula does not mean the same moleculeDistinguish connectivity, stereochemistry, salt forms and alternative SMILES representations.