| WITHDRAWN—a resource for withdrawn and discontinued drugs VB Siramshetty, J Nickel, C Omieczynski, BO Gohlke, MN Drwal, ... Nucleic acids research 44 (D1), D1080-D1086, 2016 | 282 | 2016 |
| TCRD and Pharos 2021: mining the human proteome for disease biology TK Sheils, SL Mathias, KJ Kelleher, VB Siramshetty, DT Nguyen, ... Nucleic Acids Research 49 (D1), D1334-D1346, 2021 | 133 | 2021 |
| SuperDRUG2: a one stop resource for approved/marketed drugs VB Siramshetty, OA Eckert, BO Gohlke, A Goede, Q Chen, ... Nucleic acids research 46 (D1), D1137-D1143, 2018 | 88 | 2018 |
| Large-scale modeling of multispecies acute toxicity end points using consensus of multitask deep learning methods S Jain, VB Siramshetty, VM Alves, EN Muratov, N Kleinstreuer, A Tropsha, ... Journal of chemical information and modeling 61 (2), 653-663, 2021 | 58 | 2021 |
| Pharos 2023: an integrated resource for the understudied human proteome KJ Kelleher, TK Sheils, SL Mathias, JJ Yang, VT Metzger, VB Siramshetty, ... Nucleic acids research 51 (D1), D1405-D1416, 2023 | 55 | 2023 |
| Computational methods for prediction of in vitro effects of new chemical structures P Banerjee, VB Siramshetty, MN Drwal, R Preissner Journal of cheminformatics 8 (1), 51, 2016 | 53 | 2016 |
| Critical assessment of artificial intelligence methods for prediction of hERG channel inhibition in the “big data” era VB Siramshetty, DT Nguyen, NJ Martinez, NT Southall, A Simeonov, ... Journal of Chemical Information and Modeling 60 (12), 6007-6019, 2020 | 47 | 2020 |
| The Catch-22 of predicting hERG blockade using publicly accessible bioactivity data VB Siramshetty, Q Chen, P Devarakonda, R Preissner Journal of Chemical Information and Modeling 58 (6), 1224-1233, 2018 | 43 | 2018 |
| Using in vitro ADME data for lead compound selection: An emphasis on PAMPA pH 5 permeability and oral bioavailability J Williams, V Siramshetty, ÐT Nguyễn, EC Padilha, M Kabir, KR Yu, ... Bioorganic & medicinal chemistry 56, 116588, 2022 | 41 | 2022 |
| Molecular similarity-based predictions of the Tox21 screening outcome MN Drwal, VB Siramshetty, P Banerjee, A Goede, R Preissner, M Dunkel Frontiers in Environmental science 3, 54, 2015 | 41 | 2015 |
| NCATS Inxight Drugs: a comprehensive and curated portal for translational research VB Siramshetty, I Grishagin, ÐT Nguyễn, T Peryea, Y Skovpen, ... Nucleic Acids Research 50 (D1), D1307-D1316, 2022 | 39 | 2022 |
| How to illuminate the druggable genome using pharos T Sheils, SL Mathias, VB Siramshetty, G Bocci, CG Bologa, JJ Yang, ... Current protocols in bioinformatics 69 (1), e92, 2020 | 37 | 2020 |
| Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models VB Siramshetty, P Shah, E Kerns, K Nguyen, KR Yu, M Kabir, J Williams, ... Scientific reports 10 (1), 20713, 2020 | 31 | 2020 |
| Validating ADME QSAR models using marketed drugs V Siramshetty, J Williams, ÐT Nguyễn, J Neyra, N Southall, E Mathé, X Xu, ... SLAS DISCOVERY: Advancing the Science of Drug Discovery 26 (10), 1326-1336, 2021 | 27 | 2021 |
| Predicting liver cytosol stability of small molecules P Shah, VB Siramshetty, AV Zakharov, NT Southall, X Xu, DT Nguyen Journal of cheminformatics 12, 1-14, 2020 | 24 | 2020 |
| Exploring activity profiles of PAINS and their structural context in target–ligand complexes VB Siramshetty, R Preissner, BO Gohlke Journal of chemical information and modeling 58 (9), 1847-1857, 2018 | 15 | 2018 |
| Drugs as habitable planets in the space of dark chemical matter VB Siramshetty, R Preissner Drug Discovery Today 23 (3), 481-486, 2018 | 11 | 2018 |
| Pain-prescription differences-an analysis of 500,000 discharge summaries S Preissner, VB Siramshetty, M Dunkel, P Steinborn, FC Luft, R Preissner Current Drug Research Reviews Formerly: Current Drug Abuse Reviews 11 (1), 58-66, 2019 | 10 | 2019 |
| Development and validation of PAMPA-BBB QSAR model to predict brain penetration potential of novel drug candidates R Kato, W Zeng, VB Siramshetty, J Williams, M Kabir, N Hagen, ... Frontiers in Pharmacology 14, 1291246, 2023 | 6 | 2023 |
| A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research G Zahoranszky-Kohalmi, VB Siramshetty, P Kumar, M Gurumurthy, ... Journal of chemical information and modeling 62 (3), 718-729, 2022 | 6 | 2022 |
