Literature DB >> 20845971

Activity landscape representations for structure-activity relationship analysis.

Anne Mai Wassermann1, Mathias Wawer, Jürgen Bajorath.   

Abstract

Mesh：

Year:  2010        PMID： 20845971     DOI： 10.1021/jm100933w

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


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  27 in total

1.  Computation, experiment and molecular design.

Authors:  Peter W Kenny
Journal:  J Comput Aided Mol Des       Date:  2011-12-11       Impact factor: 3.686

2.  Visualization of multi-property landscapes for compound selection and optimization.

Authors:  Antonio de la Vega de León; Shilva Kayastha; Dilyana Dimova; Thomas Schultz; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2015-08-02       Impact factor: 3.686

3.  Automated molecule editing in molecular design.

Authors:  Peter W Kenny; Carlos A Montanari; Igor M Prokopczyk; Fernanda A Sala; Geraldo Rodrigues Sartori
Journal:  J Comput Aided Mol Des       Date:  2013-09-04       Impact factor: 3.686

4.  Structure-Promiscuity Relationship Puzzles-Extensively Assayed Analogs with Large Differences in Target Annotations.

Authors:  Ye Hu; Swarit Jasial; Erik Gilberg; Jürgen Bajorath
Journal:  AAPS J       Date:  2017-03-06       Impact factor: 4.009

5.  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

6.  Design of an activity landscape view taking compound-based feature probabilities into account.

Authors:  Bijun Zhang; Martin Vogt; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2014-07-08       Impact factor: 3.686

7.  Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapes.

Authors:  Natalia V Kireeva; Svetlana I Ovchinnikova; Sergey L Kuznetsov; Andrey M Kazennov; Aslan Yu Tsivadze
Journal:  J Comput Aided Mol Des       Date:  2014-02-04       Impact factor: 3.686

8.  Chemical transformations that yield compounds with distinct activity profiles.

Authors:  Ye Hu; Jürgen Bajorath
Journal:  ACS Med Chem Lett       Date:  2011-04-13       Impact factor: 4.345

9.  Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT Analysis.

Authors:  Mathias Wawer; Jürgen Bajorath
Journal:  ACS Med Chem Lett       Date:  2011-01-05       Impact factor: 4.345

10.  Analysis of structure-Caco-2 permeability relationships using a property landscape approach.

Authors:  Yareli Rojas-Aguirre; José L Medina-Franco
Journal:  Mol Divers       Date:  2014-04-08       Impact factor: 2.943
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