Literature DB >> 23088271

Computational chemistry and drug discovery: a call to action.

Johanna M Jansen1, Rommie E Amaro, Wendy Cornell, Y Jane Tseng, W Patrick Walters.   

Abstract

Mesh：

Year:  2012        PMID： 23088271     DOI： 10.4155/fmc.12.137

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


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  2 in total

1.  CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.

Authors:  Suzanne Ackloo; Rima Al-Awar; Rommie E Amaro; Cheryl H Arrowsmith; Hatylas Azevedo; Robert A Batey; Yoshua Bengio; Ulrich A K Betz; Cristian G Bologa; John D Chodera; Wendy D Cornell; Ian Dunham; Gerhard F Ecker; Kristina Edfeldt; Aled M Edwards; Michael K Gilson; Claudia R Gordijo; Gerhard Hessler; Alexander Hillisch; Anders Hogner; John J Irwin; Johanna M Jansen; Daniel Kuhn; Andrew R Leach; Alpha A Lee; Uta Lessel; Maxwell R Morgan; John Moult; Ingo Muegge; Tudor I Oprea; Benjamin G Perry; Patrick Riley; Sophie A L Rousseaux; Kumar Singh Saikatendu; Vijayaratnam Santhakumar; Matthieu Schapira; Cora Scholten; Matthew H Todd; Masoud Vedadi; Andrea Volkamer; Timothy M Willson
Journal:  Nat Rev Chem       Date:  2022-02-15       Impact factor: 34.571

2.  Convolutional neural network scoring and minimization in the D3R 2017 community challenge.

Authors:  Jocelyn Sunseri; Jonathan E King; Paul G Francoeur; David Ryan Koes
Journal:  J Comput Aided Mol Des       Date:  2018-07-10       Impact factor: 3.686
  2 in total

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