Literature DB >> 22236250

Exploring activity cliffs in medicinal chemistry.

Dagmar Stumpfe1, Jürgen Bajorath.   

Abstract

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Year:  2012        PMID： 22236250     DOI： 10.1021/jm201706b

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  63 in total

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2.  Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.

Authors:  Jaime Pérez-Villanueva; Oscar Méndez-Lucio; Olivia Soria-Arteche; José L Medina-Franco
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4.  Automated molecule editing in molecular design.

Authors:  Peter W Kenny; Carlos A Montanari; Igor M Prokopczyk; Fernanda A Sala; Geraldo Rodrigues Sartori
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5.  Mechanism-Driven Read-Across of Chemical Hepatotoxicants Based on Chemical Structures and Biological Data.

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Review 6.  Insights into Computational Drug Repurposing for Neurodegenerative Disease.

Authors:  Manish D Paranjpe; Alice Taubes; Marina Sirota
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7.  Introducing a new category of activity cliffs combining different compound similarity criteria.

Authors:  Huabin Hu; Jürgen Bajorath
Journal:  RSC Med Chem       Date:  2020-01-07

8.  Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account.

Authors:  Ye Hu; Gerald M Maggiora; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2013-01-08       Impact factor: 3.686

9.  Tuning HERG out: antitarget QSAR models for drug development.

Authors:  Rodolpho C Braga; Vinicius M Alves; Meryck F B Silva; Eugene Muratov; Denis Fourches; Alexander Tropsha; Carolina H Andrade
Journal:  Curr Top Med Chem       Date:  2014       Impact factor: 3.295

10.  Structure-based predictions of activity cliffs.

Authors:  Jarmila Husby; Giovanni Bottegoni; Irina Kufareva; Ruben Abagyan; Andrea Cavalli
Journal:  J Chem Inf Model       Date:  2015-05-11       Impact factor: 4.956
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