Year |
Citation |
Score |
2023 |
Garrison AG, Heras-Domingo J, Kitchin JR, Dos Passos Gomes G, Ulissi ZW, Blau SM. Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set. Journal of Chemical Information and Modeling. PMID 38049389 DOI: 10.1021/acs.jcim.3c01226 |
0.686 |
|
2022 |
Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. On scientific understanding with artificial intelligence. Nature Reviews. Physics. 1-9. PMID 36247217 DOI: 10.1038/s42254-022-00518-3 |
0.692 |
|
2022 |
Gensch T, Dos Passos Gomes G, Friederich P, Peters E, Gaudin T, Pollice R, Jorner K, Nigam A, Lindner-D'Addario M, Sigman MS, Aspuru-Guzik A. A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis. Journal of the American Chemical Society. PMID 35020383 DOI: 10.1021/jacs.1c09718 |
0.699 |
|
2021 |
Christensen M, Yunker LPE, Adedeji F, Häse F, Roch LM, Gensch T, Dos Passos Gomes G, Zepel T, Sigman MS, Aspuru-Guzik A, Hein JE. Data-science driven autonomous process optimization. Communications Chemistry. 4: 112. PMID 36697524 DOI: 10.1038/s42004-021-00550-x |
0.468 |
|
2021 |
Dos Passos Gomes G, Xu G, Zhu X, Chamoreau LM, Zhang Y, Bistri-Aslanoff O, Roland S, Alabugin I, Sollogoub M. Mapping C-H…M Interactions in Confined spaces: (α-ICyDMe)Au, Ag, Cu Complexes Reveal "Contra-electrostatic H-bonds" Masquerading as Anagostic Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33769617 DOI: 10.1002/chem.202100263 |
0.496 |
|
2021 |
Pollice R, Dos Passos Gomes G, Aldeghi M, Hickman RJ, Krenn M, Lavigne C, Lindner-D'Addario M, Nigam A, Ser CT, Yao Z, Aspuru-Guzik A. Data-Driven Strategies for Accelerated Materials Design. Accounts of Chemical Research. PMID 33528245 DOI: 10.1021/acs.accounts.0c00785 |
0.616 |
|
2020 |
Elliott Q, Dos Passos Gomes G, Evoniuk CJ, Alabugin IV. Testing the limits of radical-anionic CH-amination: a 10-million-fold decrease in basicity opens a new path to hydroxyisoindolines a mixed C-N/C-O-forming cascade. Chemical Science. 11: 6539-6555. PMID 34094120 DOI: 10.1039/c9sc06511c |
0.713 |
|
2020 |
Friederich P, Dos Passos Gomes G, De Bin R, Aspuru-Guzik A, Balcells D. Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex. Chemical Science. 11: 4584-4601. PMID 33224459 DOI: 10.1039/D0Sc00445F |
0.682 |
|
2020 |
Mills LR, Monteith J, Dos Passos Gomes G, Aspuru-Guzik A, Rousseaux SAL. The cyclopropane ring as a reporter of radical leaving-group reactivity for Ni-catalyzed C(sp3)-O arylation. Journal of the American Chemical Society. PMID 32609494 DOI: 10.1021/Jacs.0C06904 |
0.541 |
|
2020 |
Gonzalez-Rodriguez E, Abdo MA, Dos Passos Gomes G, Ayad S, White FD, Tsvetkov NP, Hanson K, Alabugin I. Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core. Journal of the American Chemical Society. PMID 32249571 DOI: 10.1021/Jacs.0C01856 |
0.718 |
|
2019 |
Dos Passos Gomes G, Wimmer A, Smith JM, König B, Alabugin IV. CO or SO: Should It Stay, or Should It Go? The Journal of Organic Chemistry. PMID 30993995 DOI: 10.1021/Acs.Joc.9B00503 |
0.558 |
|
2019 |
Hughes AM, Dos Passos Gomes G, Alabugin IV. Stereoelectronic Influence of a "Spectator" Propargylic Substituent Can Override Aromaticity Effects in Radical Peri-cyclizations on Route to Expanded Polyaromatics. The Journal of Organic Chemistry. PMID 30701976 DOI: 10.1021/Acs.Joc.8B02779 |
0.589 |
|
2018 |
Tsvetkov N, Gonzalez-Rodriguez E, Hughes A, Dos Passos Gomes G, White FD, Kuriakose F, Alabugin I. Radical Alkyne Peri-annulations for Synthesis of Functionalized Phenalenes, Benzanthrenes, and Olympicene. Angewandte Chemie (International Ed. in English). PMID 29405588 DOI: 10.1002/Anie.201712783 |
0.708 |
|
2018 |
Vil' VA, Dos Passos Gomes G, Bityukov OV, Lyssenko KA, Nikishin GI, Alabugin IV, Terent'ev AO. Interrupted Baeyer-Villiger Rearrangement: Building A Stereoelectronic Trap for the Criegee Intermediate. Angewandte Chemie (International Ed. in English). PMID 29385307 DOI: 10.1002/Anie.201712651 |
0.513 |
|
2017 |
Dos Passos Gomes G, Yaremenko IA, Radulov PS, Novikov RA, Chernyshev VV, Korlyukov AA, Nikishin GI, Alabugin IV, Terent'ev AO. Stereoelectronic Control in the Ozone-Free Synthesis of Ozonides. Angewandte Chemie (International Ed. in English). PMID 28378382 DOI: 10.1002/Anie.201610699 |
0.55 |
|
2016 |
Umezu S, Dos Passos Gomes G, Yoshinaga T, Sakae M, Matsumoto K, Iwata T, Alabugin I, Shindo M. Regioselective One-Pot Synthesis of Triptycenes via Triple-Cycloadditions of Arynes to Ynolates. Angewandte Chemie (International Ed. in English). PMID 28029205 DOI: 10.1002/Anie.201609111 |
0.579 |
|
2016 |
Vatsadze SZ, Loginova YD, Dos Passos Gomes G, Alabugin IV. Stereoelectronic Chameleons: The Donor-Acceptor Dichotomy of Functional Groups. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27862399 DOI: 10.1002/Chem.201603491 |
0.49 |
|
2016 |
Pati K, Dos Passos Gomes G, Alabugin IV. Combining Traceless Directing Groups with Hybridization Control of Radical Reactivity: From Skipped Enynes to Defect-Free Hexagonal Frameworks. Angewandte Chemie (International Ed. in English). PMID 27534837 DOI: 10.1002/Anie.201605799 |
0.592 |
|
2015 |
Pati K, dos Passos Gomes G, Harris T, Hughes A, Phan H, Banerjee T, Hanson K, Alabugin IV. Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initiators. Journal of the American Chemical Society. 137: 1165-80. PMID 25539142 DOI: 10.1021/ja510563d |
0.677 |
|
Low-probability matches (unlikely to be authored by this person) |
2021 |
Diaz DB, Appavoo SD, Bogdanchikova AF, Lebedev Y, McTiernan TJ, Dos Passos Gomes G, Yudin AK. Illuminating the dark conformational space of macrocycles using dominant rotors. Nature Chemistry. PMID 33589789 DOI: 10.1038/s41557-020-00620-y |
0.17 |
|
2019 |
Lee R, Bashrum B, Cagle EC, Walters J, Massey J, Zanghi M, Birchfield C, French D, Joy J, Dos Passos Gomes G, Wiget PA. ELECTRONIC DONATION OR STERIC CONTRACTION: A SPECTROSCOPIC AND STRUCTURAL ANALYSIS OF MEDIUM-SIZED CONSTRAINED RINGS FOR POTENTIAL LONG- RANGE HYPERCONJUGATION. The Journal of Organic Chemistry. PMID 31340636 DOI: 10.1021/acs.joc.9b00979 |
0.166 |
|
Hide low-probability matches. |