| Towards global QSAR model building for acute toxicity: Munro database case study S Chavan, IA Nicholls, BCG Karlsson, AM Rosengren, D Ballabio, ... International Journal of Molecular Sciences 15 (10), 18162-18174, 2014 | 39 | 2014 |
| A k-nearest neighbor classification of hERG K+ channel blockers S Chavan, A Abdelaziz, J Wiklander, I Nicholls Journal of Computer-Aided Molecular Design, 2016 | 35 | 2016 |
| Theoretical and computational strategies for the study of the molecular imprinting process and polymer performance IA Nicholls, S Chavan, K Golker, BCG Karlsson, GD Olsson, ... Molecularly Imprinted Polymers in Biotechnology, 25-50, 2015 | 32 | 2015 |
| Acute Toxicity-Supported Chronic Toxicity Prediction: A k-Nearest Neighbor Coupled Read-Across Strategy S Chavan, R Friedman, IA Nicholls International journal of molecular sciences 16 (5), 11659-11677, 2015 | 30 | 2015 |
| Rational design of CCR2 antagonists: a survey of computational studies ME Sobhia, R Singh, P Kare, S Chavan Expert Opinion on Drug Discovery 5 (6), 543-557, 2010 | 16 | 2010 |
| Predicting chemical-induced liver toxicity using high-content imaging phenotypes and chemical descriptors: a random forest approach S Chavan, N Scherbak, M Engwall, D Repsilber Chemical Research in Toxicology 33 (9), 2261-2275, 2020 | 14 | 2020 |
| Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors S Chavan, S Bhayye, ME Sobhia Molecular diversity 15 (4), 979-987, 2011 | 8 | 2011 |
| Binding site characterization of G protein-coupled receptor by alanine-scanning mutagenesis using molecular dynamics and binding free energy approach: application to CC … S Chavan, S Pawar, R Singh, ME Sobhia Molecular diversity 16 (2), 401-413, 2012 | 7 | 2012 |
| Induced fit binding of aldose reductase inhibitors to AKR1B10 A Shah, R Shinde, P Kare, V Hymavathi, S Chavan, M Elizabeth Sobhia Medicinal Chemistry Research 21, 1245-1252, 2012 | 5 | 2012 |
| MD studies on neuraminidase for probing binding pose of its inhibitors S Chavan, P Kare, A Shah, V Hymavathi, R Singh, M Elizabeth Sobhia Medicinal Chemistry Research 20, 1680-1686, 2011 | 1 | 2011 |
| A safer and more sustainable by design perspective in biocatalytic amide-bond coupling of in silico controlled chemical space E Söderberg, KF von Borries, U Norinder, M Petchey, S Chavan, ... | | 2023 |
| In Silico Prediction of Eye Irritation Using Hansen Solubility Parameters and Predicted pKa Values M Andersson, U Norinder, S Chavan, I Cotgreave Alternatives to Laboratory Animals 51 (3), 204-209, 2023 | | 2023 |
| hERG-toxicity prediction using traditional machine learning and advanced deep learning techniques E Ylipää, S Chavan, M Bånkestad, J Broberg, B Glinghammar, U Norinder, ... Current Research in Toxicology 5, 100121, 2023 | | 2023 |
| Towards new computational tools for predicting toxicity S Chavan Linnaeus University Press, 2016 | | 2016 |
