Vigneshwari Subramanian - researchr alias

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Viewing Publication 1 - 4 from 4

2023

Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning ModelsJonathan G. M. Conn, James W. Carter, Justin J. A. Conn, Vigneshwari Subramanian, Andrew Baxter, Ola Engkvist, Antonio Llinàs, Ekaterina Ratkova, Stephen D. Pickett, James L. McDonagh, David S. Palmer. jcisd, 63(4):1099-1113, February 2023. [doi]

2022

Multi-task convolutional neural networks for predicting in vitro clearance endpoints from molecular imagesAndrés Martínez Mora, Vigneshwari Subramanian, Filip Miljkovic. jcamd, 36(6):443-457, 2022. [doi]

2020

Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic DescriptorsVigneshwari Subramanian, Ekaterina Ratkova, David Palmer 0002, Ola Engkvist, Maxim Fedorov, Antonio Llinas. jcisd, 60(6):2977-2988, 2020. [doi]

2013

Visually Interpretable Models of Kinase Selectivity Related Features Derived from Field-Based ProteochemometricsVigneshwari Subramanian, Peteris Prusis, Lars-Olof Pietilä, Henri Xhaard, Gerd Wohlfahrt. jcisd, 53(11):3021-3030, 2013. [doi]

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