| Self organising hypothesis networks: a new approach for representing and structuring SAR knowledge T Hanser, C Barber, E Rosser, JD Vessey, SJ Webb, S Werner Journal of cheminformatics 6, 1-21, 2014 | 50 | 2014 |
| Emerging pattern mining to aid toxicological knowledge discovery R Sherhod, PN Judson, T Hanser, JD Vessey, SJ Webb, VJ Gillet Journal of chemical information and modeling 54 (7), 1864-1879, 2014 | 47 | 2014 |
| Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity SJ Webb, T Hanser, B Howlin, P Krause, JD Vessey Journal of cheminformatics 6, 1-21, 2014 | 38 | 2014 |
| Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction M Walter, LN Allen, A de la Vega de León, SJ Webb, VJ Gillet Journal of Cheminformatics 14 (1), 32, 2022 | 10 | 2022 |
| Identifying the Risk of Formation of Nitrosamines and Other Potentially Mutagenic Impurities during API Manufacture Using In Silico Risk Assessment NS Murphy, DC O’Connor, GC Gavins, L James, JP Lockett, JA McManus, ... Organic Process Research & Development 27 (10), 1812-1819, 2023 | 8 | 2023 |
| In Silico Prediction of Pharmaceutical Degradation Pathways: A Benchmarking Study Using the Software Program Zeneth R Hemingway, SW Baertschi, D Benstead, JM Campbell, M Coombs, ... Organic Process Research & Development 28 (3), 674-692, 2024 | 2 | 2024 |
| Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine SJ Webb, TJ Dines, J Tomkinson Vibrational Spectroscopy 57 (1), 116-125, 2011 | 2 | 2011 |
| Interpreting Neural Network Models for Toxicity Prediction by Extracting Learned Chemical Features M Walter, SJ Webb, VJ Gillet Journal of Chemical Information and Modeling 64 (9), 3670-3688, 2024 | 1 | 2024 |
| Developing and validating read-across workflows that enable decision making for toxicity and potency: Case studies with N-nitrosamines S Kane, D Newman, DJ Ponting, E Rosser, R Thomas, JD Vessey, ... Computational Toxicology 29, 100300, 2024 | 1 | 2024 |
| Interpretation and mining of statistical machine learning (Q) SAR models for toxicity prediction. SJ Webb University of Surrey, 2015 | 1 | 2015 |
| Interpretable Ames mutagenicity predictions using statistical learning techniques SJ Webb, P Krause, JD Vessey Handbook of abstracts, 2012 | 1 | 2012 |
| Supporting the assessment of the purging of potential mutagenic impurities via analysis of known reactions S Webb, M Burns, E Rosser ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Application of an in silico tool for the risk assessment of an industrial process compliant to ICH M7 guidelines M Burns, M Ott, S Webb ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Observation et Immédiateté: comment la conscience se connaît S Webb | | |
| Investigation of patent and grant data to support purge calculations of DNA reactive (mutagenic) impurities used for risk assessment SJ Webb, SA Stalford | | |
| Supporting the assessment of the purging potential of mutagenic impurities via analysis of patent literature S Webb | | |
Paul KrauseProfessor in Complex Systems, University of SurreyVerified email at surrey.ac.uk