Shilva Kayastha - researchr alias

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Viewing Publication 1 - 5 from 5

2017

From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data setsShilva Kayastha, Ryo Kunimoto, Dragos Horvath, Alexandre Varnek, Jürgen Bajorath. jcamd, 31(11):961-977, 2017. [doi]

Privileged Structural Motif Detection and Analysis Using Generative Topographic MapsShilva Kayastha, Dragos Horvath, Erik Gilberg, Michael Gütschow, Jürgen Bajorath, Alexandre Varnek. jcisd, 57(5):1218-1232, 2017. [doi]

2016

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector RegressionDragos Horvath, Gilles Marcou, Alexandre Varnek, Shilva Kayastha, Antonio de la Vega de León, Jürgen Bajorath. jcisd, 56(9):1631-1640, 2016. [doi]

2015

Visualization of multi-property landscapes for compound selection and optimizationAntonio de la Vega de León, Shilva Kayastha, Dilyana Dimova, Thomas Schultz, Jürgen Bajorath. jcamd, 29(8):695-705, 2015. [doi]

2014

Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive CompoundsShilva Kayastha, Dilyana Dimova, Preeti Iyer, Martin Vogt, Jürgen Bajorath. jcisd, 54(2):442-450, 2014. [doi]

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