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Kayastha, Shilva
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1

From bird's eye views to molecular communities: two-layered..:

Kayastha, Shilva ; Kunimoto, Ryo ; Horvath, Dragos..
Journal of Computer-Aided Molecular Design.  31 (2017)  11 - p. 961-977 , 2017
Link: https://doi.org/10.1007/..
 
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2

Privileged Structural Motif Detection and Analysis Using Ge..:

Kayastha, Shilva ; Horvath, Dragos ; Gilberg, Erik...
Journal of Chemical Information and Modeling.  57 (2017)  5 - p. 1218-1232 , 2017
Link: https://doi.org/10.1021/..
 
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3

Prediction of Activity Cliffs Using Condensed Graphs of Rea..:

Horvath, Dragos ; Marcou, Gilles ; Varnek, Alexandre...
Journal of Chemical Information and Modeling.  56 (2016)  9 - p. 1631-1640 , 2016
Link: https://doi.org/10.1021/..
 
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4

Monitoring the Progression of Structure–Activity Relationsh..:

Shanmugasundaram, Veerabahu ; Zhang, Liying ; Kayastha, Shilva...
Journal of Medicinal Chemistry.  59 (2015)  9 - p. 4235-4244 , 2015
Link: https://doi.org/10.1021/..
 
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5

Visualization of multi-property landscapes for compound sel..:

de la Vega de León, Antonio ; Kayastha, Shilva ; Dimova, Dilyana..
Journal of Computer-Aided Molecular Design.  29 (2015)  8 - p. 695-705 , 2015
Link: https://doi.org/10.1007/..
 
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6

Target-based analysis of ionization states of bioactive com..:

Kayastha, Shilva ; de la Vega de León, Antonio ; Dimova, Dilyana.
MedChemComm.  6 (2015)  6 - p. 1030-1035 , 2015
Link: https://doi.org/10.1039/..
 
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7

Large-Scale Assessment of Activity Landscape Feature Probab..:

Kayastha, Shilva ; Dimova, Dilyana ; Iyer, Preeti..
Journal of Chemical Information and Modeling.  54 (2014)  2 - p. 442-450 , 2014
Link: https://doi.org/10.1021/..
 
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8

New methods of multiscale chemical space analysis : visuali..:

Kayastha, Shilva
http://www.theses.fr/2017STRAF042/document.  , 2017
Link: http://www.theses.fr/201..
 
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9

New methods of multiscale chemical space analysis : visuali..:

Kayastha, Shilva
NNT: 2017STRAF042.  , 2017
Link: https://tel.archives-ouv..
 
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10

Data sets for SAR progression analysis:

Shanmugasundaram, Veerabahu ; Zhang, Liying ; Kayastha, Shilva...
https://zenodo.org/record/32794.  , 2015
Link: https://zenodo.org/recor..
 
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11

ChEMBL20 data sets for multi-property landscape analysis:

de la Vega de León, Antonio ; Kayastha, Shilva ; Dimova, Dilyana..
doi:10.1007/s10822-015-9862-3.  , 2015
Link: https://zenodo.org/recor..
 
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