J. Electron Density Fingerprints (EDprints):Virtual Screening Using Assembled Information of Electron Density.

A.J. Kooistra; T.W. Binsl; J.H.G.M. van Beek; C. de Graaf; J. Heringa

doi:10.1021/ci1002608

J. Electron Density Fingerprints (EDprints):Virtual Screening Using Assembled Information of Electron Density.

A.J. Kooistra
, T.W. Binsl
, J.H.G.M. van Beek
, C. de Graaf
, J. Heringa

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We have designed a method to encode properties related to the electron densities of molecules (calculated

Original language	English
Pages (from-to)	1772-1780
Journal	Journal of Chemical Information and Modeling
Volume	50
Issue number	10
DOIs	https://doi.org/10.1021/ci1002608
Publication status	Published - 2010

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10.1021/ci1002608

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title = "J. Electron Density Fingerprints (EDprints):Virtual Screening Using Assembled Information of Electron Density.",

abstract = "We have designed a method to encode properties related to the electron densities of molecules (calculated",

author = "A.J. Kooistra and T.W. Binsl and \{van Beek\}, J.H.G.M. and \{de Graaf\}, C. and J. Heringa",

year = "2010",

doi = "10.1021/ci1002608",

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volume = "50",

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journal = "Journal of Chemical Information and Modeling",

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publisher = "American Chemical Society",

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AU - Kooistra, A.J.

AU - Binsl, T.W.

AU - van Beek, J.H.G.M.

AU - de Graaf, C.

AU - Heringa, J.

PY - 2010

Y1 - 2010

N2 - We have designed a method to encode properties related to the electron densities of molecules (calculated

AB - We have designed a method to encode properties related to the electron densities of molecules (calculated

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U2 - 10.1021/ci1002608

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M3 - Article

SN - 1549-9596

VL - 50

SP - 1772

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JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

IS - 10

ER -

J. Electron Density Fingerprints (EDprints):Virtual Screening Using Assembled Information of Electron Density.

Abstract

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