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Tutorial for stereoisomerism and QSAR

#11Pull Requestzhu0619 创建于 2024-08-20已合并
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## Changelogs This PR adds a tutorial that explains the significance of stereoisomers exhibiting activity cliffs in a dataset and their impact on QSAR modeling. This notebook covers exploration of different types of stereoisomerization, how stereochemical information can be captured through molecular representations. We also examine the impact of stereoisomers that exhibit significant activity cliffs (ACs) in QSAR modeling.
合并状态:已合并 合并于 2024-08-23 关闭于 2024-08-23 3 条评论