Paper

OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds.

Published Jan 23, 2024 · Jiacai Yi, Shaohua Shi, Li Fu

Nature protocols

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Abstract

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Study Snapshot

OptADMET is a web-based platform that provides chemical transformation rules for 32 ADMET properties, aiding in lead optimization and enabling the prediction of desirable substructure transformations for drug candidates.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds.

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