Prediction of Activity Cliffs Using Support Vector Machines - researchr publication related

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Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath. Prediction of Activity Cliffs Using Support Vector Machines. Journal of Chemical Information and Computer Sciences, 52(9):2354-2365, 2012. [doi]

The following publications are possibly variants of this publication:

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]

Visualization and Interpretation of Support Vector Machine Activity PredictionsJenny Balfer, Jürgen Bajorath. jcisd, 55(6):1136-1147, 2015. [doi]

Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexityShunsuke Tamura, Tomoyuki Miyao, Jürgen Bajorath. jcheminf, 15(1):4, 2023. [doi]

Prediction of Compounds with Closely Related Activity Profiles Using Weighted Support Vector Machine Linear CombinationsKathrin Heikamp, Jürgen Bajorath. jcisd, 53(4):791-801, 2013. [doi]

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