| Autonomous chemical research with large language models DA Boiko, R MacKnight, B Kline, G Gomes Nature 624 (7992), 570-578, 2023 | 386* | 2023 |
| Data-driven strategies for accelerated materials design R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ... Accounts of Chemical Research 54 (4), 849-860, 2021 | 286 | 2021 |
| On scientific understanding with artificial intelligence M Krenn, R Pollice, SY Guo, M Aldeghi, A Cervera-Lierta, P Friederich, ... Nature Reviews Physics 4, 761–769, 2022 | 199 | 2022 |
| A comprehensive discovery platform for organophosphorus ligands for catalysis T Gensch, G dos Passos Gomes, P Friederich, E Peters, T Gaudin, ... Journal of the American Chemical Society 144 (3), 1205-1217, 2022 | 189 | 2022 |
| Data-science driven autonomous process optimization M Christensen, LPE Yunker, F Adedeji, F Häse, LM Roch, T Gensch, ... Communications Chemistry 4 (1), 112, 2021 | 167 | 2021 |
| Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES AK Nigam, R Pollice, M Krenn, G dos Passos Gomes, A Aspuru-Guzik Chemical science 12 (20), 7079-7090, 2021 | 140 | 2021 |
| Orbital hybridization: a key electronic factor in control of structure and reactivity IV Alabugin, S Bresch, G dos Passos Gomes Journal of Physical Organic Chemistry 28 (2), 147-162, 2015 | 137 | 2015 |
| Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex P Friederich, G dos Passos Gomes, R De Bin, A Aspuru-Guzik, D Balcells Chemical Science 11 (18), 4584-4601, 2020 | 135 | 2020 |
| Stereoelectronic chameleons: the donor–acceptor dichotomy of functional groups SZ Vatsadze, YD Loginova, G dos Passos Gomes, IV Alabugin Chemistry–A European Journal 23 (14), 3225-3245, 2017 | 119 | 2017 |
| Hyperconjugation IV Alabugin, G dos Passos Gomes, MA Abdo Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (2), e1389, 2019 | 105 | 2019 |
| Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates R Pollice, P Friederich, C Lavigne, G dos Passos Gomes, A Aspuru-Guzik Matter 4 (5), 1654-1682, 2021 | 97 | 2021 |
| Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initiators K Pati, G dos Passos Gomes, T Harris, A Hughes, H Phan, T Banerjee, ... Journal of the American Chemical Society 137 (3), 1165-1180, 2015 | 97 | 2015 |
| Stereoelectronic source of the anomalous stability of bis-peroxides G dos Passos Gomes, A Terent'ev, IV Alabugin Chemical science 6 (12), 6783-6791, 2015 | 89 | 2015 |
| Coupling N–H Deprotonation, C–H Activation, and Oxidation: Metal-Free C(sp3)–H Aminations with Unprotected Anilines CJ Evoniuk, GP Gomes, SP Hill, S Fujita, K Hanson, IV Alabugin Journal of the American Chemical Society 139 (45), 16210-16221, 2017 | 88 | 2017 |
| Interrupted Baeyer–Villiger rearrangement: building a stereoelectronic trap for the Criegee intermediate VA Vil', G dos Passos Gomes, OV Bityukov, KA Lyssenko, GI Nikishin, ... Angewandte Chemie International Edition 57 (13), 3372-3376, 2018 | 86 | 2018 |
| Drawing catalytic power from charge separation: stereoelectronic and zwitterionic assistance in the Au (I)-catalyzed Bergman cyclization G dos Passos Gomes, IV Alabugin Journal of the American Chemical Society 139 (9), 3406-3416, 2017 | 83 | 2017 |
| Stereoelectronic Interactions as a Probe for the Existence of the Intramolecular α-Effect E Juaristi, G dos Passos Gomes, AO Terent’ev, R Notario, IV Alabugin Journal of the American Chemical Society 139 (31), 10799-10813, 2017 | 77 | 2017 |
| Regioselective one‐pot synthesis of triptycenes via triple‐cycloadditions of arynes to ynolates S Umezu, G dos Passos Gomes, T Yoshinaga, M Sakae, K Matsumoto, ... Angewandte Chemie International Edition 56 (5), 1298-1302, 2017 | 77 | 2017 |
| Isonitriles as stereoelectronic chameleons: The donor–acceptor dichotomy in radical additions GP Gomes, Y Loginova, SZ Vatsadze, IV Alabugin Journal of the American Chemical Society 140 (43), 14272-14288, 2018 | 72 | 2018 |
| Synthesis of functionalized phenanthrenes via regioselective oxidative radical cyclization K Pati, C Michas, D Allenger, I Piskun, PS Coutros, GP Gomes, ... The Journal of Organic Chemistry 80 (23), 11706-11717, 2015 | 69 | 2015 |
Igor AlabuginFlorida State UniversityVerified email at chem.fsu.edu
