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Gabriel dos Passos Gomes

Carnegie Mellon University

37H-index
172Paper Count
5.0KCitation Count
Published Papers 43
Publication Date
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Assessing goodness-of-fit for sparse categories using Rényi divergence
errJOURNAL OF STATISTICAL PLANNING AND INFERENCE
IF0.8
err2025-09-01
err0
PREAI
errMatsushita, Raul; Gomes, Gabriel; Da Fonseca, Regina; Nakano, Eduardo; Vila, Roberto
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Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-04
err5
errOAAI
errGarrison, Aaron G.; Heras-Domingo, Javier; Kitchin, John R.; dos Passos Gomes, Gabriel; Ulissi, Zachary W.; Blau, Samuel M.
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Three catalysts tango with olefins
errNATURE SYNTHESIS
IF20
err2022-01-12
err0
errOAAI
errReschuetzegger, Thiago; Syphan, Thomas; Gomes, Gabriel dos Passos
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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-01-12
err146
PREAI
errGensch, Tobias; Gomes, Gabriel dos Passos; Friederich, Pascal; Peters, Ellyn; Gaudin, Theophile; Pollice, Robert; Jorner, Kjell; Nigam, AkshatKumar; Lindner-D'Addario, Michael; Sigman, Matthew S.; Aspuru-Guzik, Alan
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Data-science driven autonomous process optimization
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-08-02
err127
errOAAI
errChristensen, Melodie; Yunker, Lars P. E.; Adedeji, Folarin; Hase, Florian; Roch, Loic M.; Gensch, Tobias; dos Passos Gomes, Gabriel; Zepel, Tara; Sigman, Matthew S.; Aspuru-Guzik, Alan; Hein, Jason E.
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Mapping C-H....M Interactions in Confined Spaces: (α-ICyDMe)Au, Ag, Cu Complexes Reveal Contra-electrostatic H Bonds Masquerading as Anagostic Interactions**
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-05-06
err27
errOAAI
errdos Passos Gomes, Gabriel; Xu, Guangcan; Zhu, Xiaolei; Chamoreau, Lise-Marie; Zhang, Yongmin; Bistri-Aslanoff, Olivia; Roland, Sylvain; Alabugin, Igor V.; Sollogoub, Matthieu
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Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates
errMATTER
IF17.5
err2021-05-01
err88
errOAAI
errPollice, Robert; Friederich, Pascal; Lavigne, Cyrille; Gomes, Gabriel dos Passos; Aspuru-Guzik, Alan
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Illuminating the dark conformational space of macrocycles using dominant rotors
errNATURE CHEMISTRY
IF20.2
err2021-02-15
err39
PREAI
errDiaz, Diego B.; Appavoo, Solomon D.; Bogdanchikova, Anastasia F.; Lebedev, Yury; McTiernan, Timothy J.; dos Passos Gomes, Gabriel; Yudin, Andrei K.
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Data-Driven Strategies for Accelerated Materials Design
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-02-02
err212
errOAAI
errPollice, Robert; Gomes, Gabriel dos Passos; Aldeghi, Matteo; Hickman, Riley J.; Krenn, Mario; Lavigne, Cyrille; Lindner-D'Addario, Michael; Nigam, AkshatKumar; Ser, Cher Tian; Yao, Zhenpeng; Aspuru-Guzik, Alan
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Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning
errTRENDS IN CHEMISTRY
IF13.6
err2021-02-01
err39
errOAAI
errGomes, Gabriel dos Passos; Pollice, Robert; Aspuru-Guzik, Alan
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Oxidative Rearrangement of MIDA (N-Methyliminodiacetic Acid) Boronates: Mechanistic Insights and Synthetic Applications
errORGANIC LETTERS
IF5
err2021-01-06
err7
PREAI
errKaldas, Sherif J.; Tien, Chieh-Hung; Gomes, Gabriel dos Passos; Meyer, Stephanie; Sirvinskas, Martynas; Foy, Hayden; Dudding, Travis; Yudin, Andrei K.
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Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err83
errOAAI
errNigam, AkshatKumar; Pollice, Robert; Krenn, Mario; Gomes, Gabriel dos Passos; Aspuru-Guzik, Alan
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Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err8
errOAAI
errAuhim, Husam Sabah; Grigorenko, Bella L.; Harris, Tessa K.; Aksakal, Ozan E.; Polyakov, Igor, V; Berry, Colin; Gomes, Gabriel dos Passos; Alabugin, Igor, V; Rizkallah, Pierre J.; Nemukhin, Alexander, V; Jones, D. Dafydd
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The Cyclopropane Ring as a Reporter of Radical Leaving-Group Reactivity for Ni-Catalyzed C(sp3)-O Arylation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-07-01
err44
errOAAI
errMills, L. Reginald; Monteith, John J.; Gomes, Gabriel dos Passos; Aspuru-Guzik, Alan; Rousseaux, Sophie A. L.
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Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-04-04
err29
errOAAI
errGonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Gomes, Gabriel dos Passos; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor, V
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Testing the limits of radical-anionic CH-amination: a 10-million-fold decrease in basicity opens a new path to hydroxyisoindolinesviaa mixed C-N/C-O-forming cascade
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err33
errOAAI
errElliott, Quintin; Gomes, Gabriel dos Passos; Evoniuk, Christopher J.; Alabugin, Igor, V
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Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err111
errOAAI
errFriederich, Pascal; Gomes, Gabriel dos Passos; De Bin, Riccardo; Aspuru-Guzik, Alan; Balcells, David
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Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2019-07-25
err2
PREAI
errLee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Gomes, Gabriel dos Passos; Wiget, Paul A.
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CO2 or SO2: Should It Stay, or Should It Go?
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2019-04-17
err48
errOAAI
errGomes, Gabriel dos Passos; Wimmer, Alexander; Smith, Joel M.; Koenig, Burkhard; Alabugin, Igor V.
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Stereoelectronic Influence of a Spectator Propargylic Substituent Can Override Aromaticity Effects in Radical Peri-Cyclizations en Route to Expanded Polyaromatics
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2019-01-31
err11
PREAI
errHughes, Audrey M.; Gomes, Gabriel dos Passos; Alabugin, Igor, V
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Research Directions

No research directions
Co-authors
Cooperation Journals
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
J
James L. Hedrick
H-index: 109 · Papers: 516
M
Matthew S. Sigman
H-index: 99 · Papers: 576
D
David French
H-index: 85 · Papers: 730
I
Igor V. Alabugin
H-index: 62 · Papers: 448
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