| Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity S Jain, E Kotsampasakou, GF Ecker Journal of computer-aided molecular design 32, 583-590, 2018 | 49 | 2018 |
| Discovery of TMPRSS2 inhibitors from virtual screening as a potential treatment of COVID-19 X Hu, JH Shrimp, H Guo, M Xu, CZ Chen, W Zhu, AV Zakharov, S Jain, ... ACS pharmacology & translational science 4 (3), 1124-1135, 2021 | 48 | 2021 |
| 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 | 45 | 2021 |
| The binding modes and binding affinities of artemisinin derivatives with Plasmodium falciparum Ca2+-ATPase (PfATP6) PK Naik, M Srivastava, P Bajaj, S Jain, A Dubey, P Ranjan, R Kumar, ... Journal of molecular modeling 17, 333-357, 2011 | 41 | 2011 |
| Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP S Jain, M Grandits, L Richter, GF Ecker Journal of Computer-Aided Molecular Design 31, 507-521, 2017 | 29 | 2017 |
| Development of robust quantitative structure-activity relationship models for CYP2C9, CYP2D6, and CYP3A4 catalysis and inhibition E Gonzalez, S Jain, P Shah, N Torimoto-Katori, A Zakharov, ÐT Nguyễn, ... Drug Metabolism and Disposition 49 (9), 822-832, 2021 | 23 | 2021 |
| Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein S Jain, M Grandits, GF Ecker European Journal of Pharmaceutical Sciences 122, 134-143, 2018 | 21 | 2018 |
| Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action SE Escher, A Aguayo-Orozco, E Benfenati, A Bitsch, T Braunbeck, ... Toxicology in Vitro 79, 105269, 2022 | 18 | 2022 |
| Artificial Immune Cell, AI‐cell, a New Tool to Predict Interferon Production by Peripheral Blood Monocytes in Response to Nucleic Acid Nanoparticles M Chandler, S Jain, J Halman, E Hong, MA Dobrovolskaia, AV Zakharov, ... Small 18 (46), 2204941, 2022 | 14 | 2022 |
| Integrative data mining, scaffold analysis, and sequential binary classification models for exploring ligand profiles of hepatic organic anion transporting polypeptides A Türková, S Jain, B Zdrazil Journal of chemical information and modeling 59 (5), 1811-1825, 2018 | 14 | 2018 |
| Evaluation of antimicrobial activity and retention behavior of newly synthesized vanilidene derivatives of Meldrum’s acids using QSRR approach JT Ristovski, N Janković, V Borčić, S Jain, Z Bugarčić, M Mikov Journal of Pharmaceutical and Biomedical Analysis 155, 42-49, 2018 | 14 | 2018 |
| Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction S Jain, U Norinder, SE Escher, B Zdrazil Chemical Research in Toxicology 34 (2), 656-668, 2020 | 11 | 2020 |
| Hybrid In Silico Approach Reveals Novel Inhibitors of Multiple SARS-CoV-2 Variants S Jain, DC Talley, B Baljinnyam, J Choe, Q Hanson, W Zhu, M Xu, ... ACS Pharmacology & Translational Science 4 (5), 1675-1688, 2021 | 10 | 2021 |
| In silico approaches to predict drug-transporter interaction profiles: data mining, model generation, and link to cholestasis S Jain, GF Ecker Experimental Cholestasis Research, 383-396, 2019 | 10 | 2019 |
| Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents JE Hochuli, S Jain, C Melo-Filho, ZL Sessions, T Bobrowski, J Choe, ... ACS Pharmacology & Translational Science 5 (7), 468-478, 2022 | 9 | 2022 |
| Impact of culture on consumer innovativeness: A comparative study of consumers in Singapore and Australia SK Jain, A Dalal International Journal of Management and Applied Science 1 (3), 46-50, 2015 | 7 | 2015 |
| MetalloPred: A tool for hierarchical prediction of metal ion binding proteins using cluster of neural networks and sequence derived features PK Naik, P Ranjan, P Kesari, S Jain J Biophys Chem 2, 112-123, 2011 | 7 | 2011 |
| Discovery of TMPRSS2 inhibitors from virtual screening X Hu, JH Shrimp, H Guo, M Xu, CZ Chen, W Zhu, A Zakharov, S Jain, ... BioRxiv, 2020 | 4 | 2020 |
| Venglustat inhibits protein N-terminal methyltransferase 1 in a substrate-competitive manner G Dong, Y Deng, A Yasgar, R Yadav, D Talley, AV Zakharov, S Jain, ... Journal of medicinal chemistry 65 (18), 12334-12345, 2022 | 3 | 2022 |
| Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein A Cseke, T Schwarz, S Jain, S Decker, K Vogl, E Urban, GF Ecker Archiv der Pharmazie 353 (3), 1900269, 2020 | 3 | 2020 |
