| From in silico target prediction to multi-target drug design: Current databases, methods and applications A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, ... Journal of proteomics 74 (12), 2554-2574, 2011 | 355 | 2011 |
| Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity data A Koutsoukas, KJ Monaghan, X Li, J Huan Journal of cheminformatics 9, 1-13, 2017 | 352 | 2017 |
| In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window A Koutsoukas, R Lowe, Y KalantarMotamedi, HY Mussa, W Klaffke, ... Journal of chemical information and modeling 53 (8), 1957-1966, 2013 | 164 | 2013 |
| How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space A Koutsoukas, S Paricharak, WRJD Galloway, DR Spring, AP IJzerman, ... Journal of chemical information and modeling 54 (1), 230-242, 2014 | 94 | 2014 |
| Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines F Mohd Fauzi, A Koutsoukas, R Lowe, K Joshi, TP Fan, RC Glen, ... Journal of Chemical Information and Modeling 53 (3), 661-673, 2013 | 75 | 2013 |
| AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials CDS Zachary L. Glick, Derek P. Metcalf, Alexios Koutsoukas, Steven A. Spronk ... The Journal of Chemical Physics 153 (4), 2020 | 64 | 2020 |
| Anti-cancer drug development: computational strategies to identify and target proteins involved in cancer metabolism L Mak, S Liggi, L Tan, K Kusonmano, J M Rollinger, A Koutsoukas, ... Current pharmaceutical design 19 (4), 532-577, 2013 | 48 | 2013 |
| Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory DP Metcalf, A Koutsoukas, SA Spronk, BL Claus, DA Loughney, ... The Journal of Chemical Physics 152 (7), 2020 | 35 | 2020 |
| Predictive toxicology: modeling chemical induced toxicological response combining circular fingerprints with random forest and support vector machine A Koutsoukas, J St. Amand, M Mishra, J Huan Frontiers in Environmental Science 4, 11, 2016 | 35 | 2016 |
| Extending In Silico Mechanism-of-Action Analysis by Annotating Targets with Pathways: Application to Cellular Cytotoxicity Readouts S Liggi, G Drakakis, A Koutsoukas, I Cortes–Ciriano, P Martínez–Alonso, ... Future Medicinal Chemistry 6 (18), 2029-2056, 2014 | 32 | 2014 |
| CLIFF: A component-based, machine-learned, intermolecular force field JB Schriber, DR Nascimento, A Koutsoukas, SA Spronk, DL Cheney, ... The Journal of Chemical Physics 154 (18), 2021 | 30 | 2021 |
| Diversity Selection of Compounds Based on ‘Protein Affinity Fingerprints’ Improves Sampling of Bioactive Chemical Space HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, ... Chemical Biology & Drug Design 82 (3), 252-266, 2013 | 23 | 2013 |
| Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles ZL Glick, A Koutsoukas, DL Cheney, CD Sherrill The Journal of Chemical Physics 154 (22), 2021 | 22 | 2021 |
| Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data CHG Allen, A Koutsoukas, I Cortés-Ciriano, DS Murrell, TE Malliavin, ... Toxicology research 5 (3), 883-894, 2016 | 22 | 2016 |
| Linking Ayurveda and Western medicine by integrative analysis FM Fauzi, A Koutsoukas, R Lowe, K Joshi, TP Fan, RC Glen, A Bender Journal of Ayurveda and Integrative Medicine 4 (2), 117, 2013 | 13 | 2013 |
| Comparing global and local likelihood score thresholds in multiclass laplacian-modified naive bayes protein target prediction G Drakakis, A Koutsoukas, S C Brewerton, M J Bodkin, D A Evans, ... Combinatorial Chemistry & High Throughput Screening 18 (3), 323-330, 2015 | 12 | 2015 |
| Experimental validation of in silico target predictions on synergistic protein targets I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, ... MedChemComm 4 (1), 278-288, 2013 | 12 | 2013 |
| In-Silico Extraction of Design Ideas Using MMPA-by-QSAR and its Application on ADME Endpoints A Koutsoukas, G Chang, CE Keefer Journal of Chemical Information and Modeling 59 (1), 477-485, 2018 | 9 | 2018 |
| Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model G Drakakis, A Koutsoukas, SC Brewerton, DDE Evans, A Bender Journal of Cheminformatics 5, 1-1, 2013 | 7 | 2013 |
| Investigating multiview and multitask learning frameworks for predicting drug-disease associations SN Chandrasekaran, A Koutsoukas, J Huan Proceedings of the 7th ACM International Conference on Bioinformatics …, 2016 | 6 | 2016 |
Andreas BenderUniversity of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai在 cam.ac.uk 的电子邮件经过验证
