Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive Compounds. - Shilva Kayastha; Dilyana Dimova; Preeti Iyer; Martin Vogt 001; Jürgen Bajorath (J. Chem. Inf. Model., 2014)

Visualization of multi-property landscapes for compound selection and optimization. - Antonio de la Vega de León; Shilva Kayastha; Dilyana Dimova; Thomas Schultz 001; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2015)

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression. - Dragos Horvath; Gilles Marcou; Alexandre Varnek; Shilva Kayastha; Antonio de la Vega de León; Jürgen Bajorath (J. Chem. Inf. Model., 2016)

From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets. - Shilva Kayastha; Ryo Kunimoto; Dragos Horvath; Alexandre Varnek; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2017)

Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps. - Shilva Kayastha; Dragos Horvath; Erik Gilberg; Michael Gütschow; Jürgen Bajorath; Alexandre Varnek (J. Chem. Inf. Model., 2017)