/tools/DeepBioisostere

DeepBioisostere

Hwoo-Kim/DeepBioisostere

GitHub
optimizationgenerationtoolsmall-moleculeproperty-prediction
27 stars4 forksJupyter NotebookAdded February 5, 2026
summary

DeepBioisostere is a tool that utilizes deep learning to perform bioisosteric replacements, optimizing various molecular properties such as molecular weight and logP. It allows users to generate and optimize molecules based on specified criteria, making it relevant for molecular design and property prediction.

description

Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties

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