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Urbina, Fabio
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1

The Goldilocks paradigm: comparing classical machine learni..:

Snyder, Scott H. ; Vignaux, Patricia A. ; Ozalp, Mustafa Kemal...
Communications Chemistry.  7 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

Sequential Contrastive and Deep Learning Models to Identify..:

Ozalp, Mustafa Kemal ; Vignaux, Patricia A. ; Puhl, Ana C....
Journal of Chemical Information and Modeling.  64 (2024)  8 - p. 3161-3172 , 2024
Link: https://doi.org/10.1021/..
 
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3

Using MegaSyn Generative Machine Learning to Identify Psych..:

Harris, Joshua ; Gerlach, Jacob ; Urbina, Fabio.
Drug and Alcohol Dependence.  260 (2024)  - p. 110313 , 2024
Link: https://doi.org/10.1016/..
 
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4

Near-Term Quantum Classification Algorithms Applied to Anti..:

Dorsey, Matthew A. ; Dsouza, Kelvin ; Ranganath, Dhruv...
Journal of Chemical Information and Modeling.  , 2024
Link: https://doi.org/10.1021/..
 
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5

Preventing AI From Creating Biochemical Threats:

Urbina, Fabio ; Lentzos, Filippa ; Invernizzi, Cédric.
Journal of Chemical Information and Modeling.  63 (2023)  3 - p. 691-694 , 2023
Link: https://doi.org/10.1021/..
 
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6

N-Phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine as a N..:

Lane, Thomas ; Makarov, Vadim ; Nelson, Julie A. E....
Journal of Medicinal Chemistry.  66 (2023)  9 - p. 6193-6217 , 2023
Link: https://doi.org/10.1021/..
 
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7

Validation of Acetylcholinesterase Inhibition Machine Learn..:

Vignaux, Patricia A. ; Lane, Thomas R. ; Urbina, Fabio...
Chemical Research in Toxicology.  36 (2023)  2 - p. 188-201 , 2023
Link: https://doi.org/10.1021/..
 
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8

Comparing LD50/LC50 Machine Learning Models for Multiple Sp..:

Lane, Thomas R. ; Harris, Joshua ; Urbina, Fabio.
ACS Chemical Health & Safety.  30 (2023)  2 - p. 83-97 , 2023
Link: https://doi.org/10.1021/..
 
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9

AI in drug discovery: A wake-up call:

Urbina, Fabio ; Lentzos, Filippa ; Invernizzi, Cédric.
Drug Discovery Today.  28 (2023)  1 - p. 103410 , 2023
Link: https://doi.org/10.1016/..
 
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10

The commoditization of AI for molecule design:

Urbina, Fabio ; Ekins, Sean
Artificial Intelligence in the Life Sciences.  2 (2022)  - p. 100031 , 2022
Link: https://doi.org/10.1016/..
 
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11

MegaSyn: Integrating Generative Molecular Design, Automated..:

Urbina, Fabio ; Lowden, Christopher T. ; Culberson, J. Christopher.
ACS Omega.  7 (2022)  22 - p. 18699-18713 , 2022
Link: https://doi.org/10.1021/..
 
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12

Discovery of New Zika Protease and Polymerase Inhibitors th..:

Mottin, Melina ; de Paula Sousa, Bruna Katiele ; de Moraes Roso Mesquita, Nathalya Cristina...
Journal of Chemical Information and Modeling.  62 (2022)  24 - p. 6825-6843 , 2022
Link: https://doi.org/10.1021/..
 
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13

Dual use of artificial-intelligence-powered drug discovery:

Urbina, Fabio ; Lentzos, Filippa ; Invernizzi, Cédric.
Nature Machine Intelligence.  4 (2022)  3 - p. 189-191 , 2022
Link: https://doi.org/10.1038/..
 
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14

Machine Learning Models Identify New Inhibitors for Human O..:

Lane, Thomas R. ; Urbina, Fabio ; Zhang, Xiaohong...
Molecular Pharmaceutics.  19 (2022)  11 - p. 4320-4332 , 2022
Link: https://doi.org/10.1021/..
 
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15

A teachable moment for dual-use:

Urbina, Fabio ; Lentzos, Filippa ; Invernizzi, Cédric.
Nature Machine Intelligence.  4 (2022)  7 - p. 607-607 , 2022
Link: https://doi.org/10.1038/..
 
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