Rishal Aggarwal

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 5

Top Topics

Protein Protein

Convolutional Neural Networks

Virtual Screening

Tandem Mass Spectra

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Michael Brocidiacono, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha
BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. J. Chem. Inf. Model. 64 (7) (2024)
Rishal Aggarwal, Akash Gupta, Vineeth R. Chelur, C. V. Jawahar, U. Deva Priyakumar
DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks. J. Chem. Inf. Model. 62 (21) (2022)
Viraj Bagal, Rishal Aggarwal, P. K. Vinod, U. Deva Priyakumar
MolGPT: Molecular Generation Using a Transformer-Decoder Model. J. Chem. Inf. Model. 62 (9) (2022)
Andrew T. McNutt, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes
GNINA 1.0: molecular docking with deep learning. J. Cheminformatics 13 (1) (2021)
Rishal Aggarwal, Akash Gupta, U. Deva Priyakumar
APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design. CoRR (2021)