Consensus rank orderings of molecular fingerprints illustrate the 'most genuine'similarities between marketed drugs and small endogenous human metabolites, but …

S O'Hagan, DB Kell - ADMET and DMPK, 2017 - hrcak.srce.hr
Sažetak We compare several molecular fingerprint encodings for marketed, small molecule
drugs, and assess how their rank order varies with the fingerprint in terms of the Tanimoto …

A palette of fluorophores that are differentially accumulated by wild-type and mutant strains of Escherichia coli: surrogate ligands for profiling bacterial membrane …

JE Salcedo-Sora, S **dal, S O'Hagan… - Microbiology, 2021 - microbiologyresearch.org
Our previous work demonstrated that two commonly used fluorescent dyes that were
accumulated by wild-type Escherichia coli MG1655 were differentially transported in single …

Modeling tanimoto similarity value distributions and predicting search results

M Vogt, J Bajorath - Molecular Informatics, 2017 - Wiley Online Library
Similarity searching using molecular fingerprints has a long history in chemoinformatics and
continues to be a popular approach for virtual screening. Typically, known active reference …