Literature DB >> 27654148

Drug discovery and development in the era of Big Data.

Jürgen Bajorath1, John Overington2, Jeremy L Jenkins3, Pat Walters4.   

Abstract

Keywords:  Big Data; data science; drug discovery; informatics; interdisciplinary R&D

Year:  2016        PMID： 27654148     DOI： 10.4155/fmc-2014-0081

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


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  6 in total

1.  Unraveling the Metabolic Routes of Retapamulin: Insights into Drug Development of Pleuromutilins.

Authors:  Feifei Sun; Huiyan Zhang; Gerard Bryan Gonzales; Jinhui Zhou; Yi Li; Jinzhen Zhang; Yue Jin; Zhanhui Wang; Yanshen Li; Xingyuan Cao; Suxia Zhang; Shupeng Yang
Journal:  Antimicrob Agents Chemother       Date:  2018-03-27       Impact factor: 5.191

2.  Identifying relationships between unrelated pharmaceutical target proteins on the basis of shared active compounds.

Authors:  Filip Miljković; Ryo Kunimoto; Jürgen Bajorath
Journal:  Future Sci OA       Date:  2017-06-01

3.  Novel applications of Machine Learning in cheminformatics.

Authors:  Ola Spjuth
Journal:  J Cheminform       Date:  2018-09-06       Impact factor: 5.514

4.  Foundations of data-driven medicinal chemistry.

Authors:  Jürgen Bajorath
Journal:  Future Sci OA       Date:  2018-06-28

Review 5.  Entering the 'big data' era in medicinal chemistry: molecular promiscuity analysis revisited.

Authors:  Ye Hu; Jürgen Bajorath
Journal:  Future Sci OA       Date:  2017-03-06

6.  3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.

Authors:  Albert J Kooistra; Márton Vass; Ross McGuire; Rob Leurs; Iwan J P de Esch; Gert Vriend; Stefan Verhoeven; Chris de Graaf
Journal:  ChemMedChem       Date:  2018-02-14       Impact factor: 3.466
  6 in total

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