| A large-scale machine learning analysis of inorganic nanoparticles in preclinical cancer research BB Mendes, Z Zhang, J Conniot, DP Sousa, JMJM Ravasco, LA Onweller, ... Nature Nanotechnology, 1-12, 2024 | 1 | 2024 |
| Machine Learning Uncovers Natural Product Modulators of the 5-Lipoxygenase Pathway and Facilitates the Elucidation of Their Biological Mechanisms S Mikutis, S Lawrinowitz, C Kretzer, L Dunsmore, L Sketeris, T Rodrigues, ... ACS Chemical Biology, 2023 | | 2023 |
| Limitations of representation learning in small molecule property prediction AL Dias, L Bustillo, T Rodrigues Nature Communications, 2023 | 2 | 2023 |
| Merging the Isonitrile-Tetrazine (4 + 1) Cycloaddition and the Ugi Four-Component Reaction into a Single Multicomponent Process Y Méndez, AV Vasco, G Ivey, AL Dias, P Gierth, BB Sousa, CD Navo, ... Angewandte Chemie International Edition, 2023 | 2 | 2023 |
| The rise of automated curiosity-driven discoveries in chemistry L Bustillo, T Laino, T Rodrigues Chemical Science, 2023 | 4 | 2023 |
| Large language models direct automated chemistry laboratory AL Dias, Rodrigues Nature 624, 530-531, 2023 | 1 | 2023 |
| A focus on the use of real-world datasets for yield prediction L Bustillo, T Rodrigues Chemical Science, 2023 | | 2023 |
| A special issue on artificial intelligence for drug discovery T Rodrigues Bioorg Med Chem, 2022 | | 2022 |
| Controlled masking and targeted release of redox-cycling ortho-quinones via a C–C bond-cleaving 1,6-elimination L Dunsmore, CD Navo, J Becher, EG de Montes, A Guerreiro, E Hoyt, ... Nature Chemistry, 2022 | 21 | 2022 |
| Nuisance small molecules under a machine-learning lens T Rodrigues Digital Discovery, 2022 | 2 | 2022 |
| Chemoproteomics-Enabled Identification of 4-Oxo-β-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9 LAR Carvalho, L Ross, B., Fehr, O Bolgi, S Wöhrle, KL Lum, ... Angewandte Chemie International Edition, 2022 | 8* | 2022 |
| Evaluation guidelines for machine learning tools in the chemical sciences A Bender, N Schneider, M Segler, WP Walters, O Engkvist, T Rodrigues Nature Reviews Chemistry, 2022 | 76 | 2022 |
| Deriving intuition in catalyst design with machine learning T Rodrigues Chem 8 (1), 2022 | 5 | 2022 |
| Machine learning for next-generation nanotechnology in healthcare A Lorenc, BB Mendes, J Conniot, DP Sousa, J Conde, T Rodrigues Matter 4 (10), 3078-3080, 2021 | 11 | 2021 |
| Combating small molecule aggregation with machine learning K Lee, A Yang, YC Lin, D Reker, GJL Bernardes, T Rodrigues Cell Reports Physical Science 2, 100573, 2021 | 17 | 2021 |
| Exploration of Long-Chain Vitamin E Metabolites for the Discovery of a Highly Potent, Orally Effective, and Metabolically Stable 5‐LOX Inhibitor that Limits Inflammation K Neukirch, K Alsabil, CP Dinh, (...), T Rodrigues, (...), A Koeberle Journal of Medicinal Chemistry, 2021 | 9 | 2021 |
| Facts and Figures on Materials Science and Nanotechnology Progress and Investment S Talebian, T Rodrigues, J das Neves, B Sarmento, R Langer, J Conde ACS Nano, 2021 | 65 | 2021 |
| Augmenting Adaptive Machine Learning with Kinetic Modeling for Reaction Optimization FA Almeida, FAP Ataíde, RMS Loureiro, R Moreira, T Rodrigues Journal of Organic Chemistry, 2021 | 11 | 2021 |
| Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression J Conde, C Pumroy, Ruth A., Baker, T Rodrigues, et al ACS Central Science, 2021 | 44 | 2021 |
| Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors JD Seixas, BB Sousa, MC Marques, A Guerreiro, R Traquete, T Rodrigues, ... RSC Chemical Biology, 2020 | 8 | 2020 |
Daniel RekerAssistant Professor at Duke University在 duke.edu 的电子邮件经过验证
Daniel RekerAssistant Professor at Duke University在 duke.edu 的电子邮件经过验证
Yen-Chu LinETH, A*STAR, Insilico Medicine Taiwan在 insilico.com 的电子邮件经过验证