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Vigneshwari Subramanian
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Journal Articles
- 2023
- [j4]Jonathan 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
:
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models. J. Chem. Inf. Model. 63(4): 1099-1113 (2023) - 2022
- [j3]Andrés Martínez Mora, Vigneshwari Subramanian
, Filip Miljkovic
:
Multi-task convolutional neural networks for predicting in vitro clearance endpoints from molecular images. J. Comput. Aided Mol. Des. 36(6): 443-457 (2022) - 2020
- [j2]Vigneshwari Subramanian
, Ekaterina Ratkova, David Palmer
, Ola Engkvist
, Maxim V. Fedorov, Antonio Llinàs
:
Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors. J. Chem. Inf. Model. 60(6): 2977-2988 (2020) - 2013
- [j1]Vigneshwari Subramanian
, Peteris Prusis, Lars-Olof Pietilä, Henri Xhaard
, Gerd Wohlfahrt
:
Visually Interpretable Models of Kinase Selectivity Related Features Derived from Field-Based Proteochemometrics. J. Chem. Inf. Model. 53(11): 3021-3030 (2013)
Informal and Other Publications
- 2019
- [i2]Matteo Manica, Ali Oskooei, Jannis Born
, Vigneshwari Subramanian, Julio Sáez-Rodríguez, María Rodríguez Martínez
:
Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional Encoders. CoRR abs/1904.11223 (2019) - 2018
- [i1]Ali Oskooei, Jannis Born
, Matteo Manica, Vigneshwari Subramanian, Julio Sáez-Rodríguez, María Rodríguez Martínez
:
PaccMann: Prediction of anticancer compound sensitivity with multi-modal attention-based neural networks. CoRR abs/1811.06802 (2018)
Coauthor Index
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