Literature DB >> 25367389

Evolution of the activity cliff concept for structure-activity relationship analysis and drug discovery.

Jürgen Bajorath.   

Abstract

Keywords:  SAR analysis; active compounds; activity cliffs; compound data mining; lead optimization; molecular similarity

Mesh：

Year:  2014        PMID： 25367389     DOI： 10.4155/fmc.14.94

Source DB:  PubMed          Journal:  Future Med Chem        ISSN： 1756-8919            Impact factor:   3.808


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  2 in total

1.  Systematic identification of target set-dependent activity cliffs.

Authors:  Huabin Hu; Dagmar Stumpfe; Jürgen Bajorath
Journal:  Future Sci OA       Date:  2019-01-18

2.  Drug target inference by mining transcriptional data using a novel graph convolutional network framework.

Authors:  Feisheng Zhong; Xiaolong Wu; Ruirui Yang; Xutong Li; Dingyan Wang; Zunyun Fu; Xiaohong Liu; XiaoZhe Wan; Tianbiao Yang; Zisheng Fan; Yinghui Zhang; Xiaomin Luo; Kaixian Chen; Sulin Zhang; Hualiang Jiang; Mingyue Zheng
Journal:  Protein Cell       Date:  2021-10-22       Impact factor: 14.870
  2 in total

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