Computational methods for prediction of in vitro effects of new chemical structures. - Priyanka Banerjee; Vishal B. Siramshetty; Malgorzata N. Drwal; Robert Preissner (J. Cheminformatics, 2016)

WITHDRAWN - a resource for withdrawn and discontinued drugs. - Vishal B. Siramshetty; Janette Nickel; Christian Omieczynski; Björn-Oliver Gohlke; Malgorzata N. Drwal; Robert Preissner (Nucleic Acids Res., 2016)

The Catch-22 of Predicting hERG Blockade Using Publicly Accessible Bioactivity Data. - Vishal B. Siramshetty; Qiaofeng Chen; Prashanth Devarakonda; Robert Preissner (J. Chem. Inf. Model., 2018)

Exploring Activity Profiles of PAINS and Their Structural Context in Target-Ligand Complexes. - Vishal B. Siramshetty; Robert Preissner; Björn-Oliver Gohlke (J. Chem. Inf. Model., 2018)

SuperDRUG2: a one stop resource for approved/marketed drugs. - Vishal B. Siramshetty; Andreas Eckert; Björn-Oliver Gohlke; Andrean Goede; Qiaofeng Chen; Prashanth Devarakonda; Saskia Preissner; Robert Preissner (Nucleic Acids Res., 2018)

Cheminformatics Approaches to Drug Discovery (From Knowledgebases to Toxicity Prediction and Promiscuity Assessment) - Vishal B. Siramshetty (2019)

Predicting liver cytosol stability of small molecules. - Pranav Shah; Vishal B. Siramshetty; Alexey V. Zakharov; Noel Southall; Xin Xu; Dac-Trung Nguyen (J. Cheminformatics, 2020)

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era. - Vishal B. Siramshetty; Dac-Trung Nguyen; Natalia J. Martinez; Noel Southall; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2020)

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. - Sankalp Jain; Vishal B. Siramshetty; Vinicius M. Alves; Eugene N. Muratov; Nicole C. Kleinstreuer; Alexander Tropsha; Marc C. Nicklaus; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2021)

TCRD and Pharos 2021: mining the human proteome for disease biology. - Timothy Sheils; Stephen L. Mathias; Keith J. Kelleher; Vishal B. Siramshetty; Dac-Trung Nguyen; Cristian Bologa; Lars Juhl Jensen; Dusica Vidovic; Amar Koleti; Stephan C. Schürer; Anna Waller; Jeremy J. Yang; et al. (Nucleic Acids Res., 2021)

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research. - Gergely Zahoránszky-Köhalmi; Vishal B. Siramshetty; Praveen Kumar; Manideep Gurumurthy; Busola Grillo; Biju Mathew; Dimitrios Metaxatos; Mark Backus; Tim Mierzwa; Reid Simon; Ivan Grishagin; Laura Brovold; et al. (J. Chem. Inf. Model., 2022)

NCATS Inxight Drugs: a comprehensive and curated portal for translational research. - Vishal B. Siramshetty; Ivan Grishagin; Ðac-Trung Nguyen; Tyler Peryea; Yulia Skovpen; Oleg Stroganov; Daniel Katzel; Timothy Sheils; Ajit Jadhav; Ewy A. Mathé; Noel Southall (Nucleic Acids Res., 2022)

Pharos 2023: an integrated resource for the understudied human proteome. - Keith J. Kelleher; Timothy Sheils; Stephen L. Mathias; Jeremy J. Yang; Vincent T. Metzger; Vishal B. Siramshetty; Dac-Trung Nguyen; Lars Juhl Jensen; Dusica Vidovic; Stephan C. Schürer; Jayme Holmes; Karlie R. Sharma; et al. (Nucleic Acids Res., 2023)

The effect of different feature selection methods on models created with XGBoost. - Jorge Neyra; Vishal B. Siramshetty; Huthaifa I. Ashqar (CoRR, 2024)