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Sciabola, Simone
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1

Large-Scale Pretraining Improves Sample Efficiency of Activ..:

Cao, Zhonglin ; Sciabola, Simone ; Wang, Ye
Journal of Chemical Information and Modeling.  64 (2024)  6 - p. 1882-1891 , 2024
Link: https://doi.org/10.1021/..
 
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2

Machine Learning Methods as a Cost-Effective Alternative to..:

Bansal, Nupur ; Wang, Ye ; Sciabola, Simone
Molecules.  29 (2024)  4 - p. 830 , 2024
Link: https://doi.org/10.3390/..
 
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3

Prospective Validation of Machine Learning Algorithms for A..:

Fang, Cheng ; Wang, Ye ; Grater, Richard...
Journal of Chemical Information and Modeling.  63 (2023)  11 - p. 3263-3274 , 2023
Link: https://doi.org/10.1021/..
 
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4

Controlled sulfur-based engineering confers mouldability to..:

Genna, Vito ; Iglesias-Fernández, Javier ; Reyes-Fraile, Laura...
Nucleic Acids Research.  51 (2023)  10 - p. 4713-4725 , 2023
Link: https://doi.org/10.1093/..
 
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5

Critical Assessment of State‐of‐the‐Art Ligand‐Based Virtua..:

Sciabola, Simone ; Torella, Rubben ; Nagata, Asako.
Molecular Informatics.  41 (2022)  11 - p. , 2022
Link: https://doi.org/10.1002/..
 
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6

PFRED: A computational platform for siRNA and antisense oli..:

Sciabola, Simone ; Xi, Hualin ; Cruz, Dario...
PLOS ONE.  16 (2021)  1 - p. e0238753 , 2021
Link: https://doi.org/10.1371/..
 
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7

Harnessing Preclinical Data as a Predictive Tool for Human ..:

Patel, Nandini C. ; Feng, Bo ; Hou, Xinjun...
ACS Chemical Neuroscience.  12 (2021)  6 - p. 1007-1017 , 2021
Link: https://doi.org/10.1021/..
 
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8

A Novel Lipidomics-Based Approach to Evaluating the Risk of..:

Goracci, Laura ; Valeri, Aurora ; Sciabola, Simone...
Chemical Research in Toxicology.  33 (2019)  1 - p. 258-270 , 2019
Link: https://doi.org/10.1021/..
 
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9

DeltaDelta neural networks for lead optimization of small m..:

Jiménez-Luna, José ; Pérez-Benito, Laura ; Martínez-Rosell, Gerard...
Chemical Science.  10 (2019)  47 - p. 10911-10918 , 2019
Link: https://doi.org/10.1039/..
 
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10

From Target to Drug: Generative Modeling for the Multimodal..:

Skalic, Miha ; Sabbadin, Davide ; Sattarov, Boris..
Molecular Pharmaceutics.  16 (2019)  10 - p. 4282-4291 , 2019
Link: https://doi.org/10.1021/..
 
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11

Understanding allosteric interactions in hMLKL protein that..:

Bansal, Nupur ; Sciabola, Simone ; Bhisetti, Govinda
Scientific Reports.  9 (2019)  1 - p. , 2019
Link: https://doi.org/10.1038/..
 
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12

Author Correction: Dopamine D3 receptor antagonist reveals ..:

Ferruz, Noelia ; Doerr, Stefan ; Vanase-Frawley, Michelle A....
Scientific Reports.  9 (2019)  1 - p. , 2019
Link: https://doi.org/10.1038/..
 
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13

Discovering New Casein Kinase 1d Inhibitors with an Innovat..:

Sciabola, Simone ; Benedetti, Paolo ; D'Arrigo, Giulia...
ACS Medicinal Chemistry Letters.  10 (2018)  4 - p. 487-492 , 2018
Link: https://doi.org/10.1021/..
 
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14

Hybrid peptide-small molecule oxytocin analogs are potent a..:

Kablaoui, Natasha ; Vanase-Frawley, Michelle ; Sciabola, Simone
Bioorganic & Medicinal Chemistry Letters.  28 (2018)  3 - p. 415-419 , 2018
Link: https://doi.org/10.1016/..
 
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15

Dopamine D3 receptor antagonist reveals a cryptic pocket in..:

Ferruz, Noelia ; Doerr, Stefan ; Vanase-Frawley, Michelle A....
Scientific Reports.  8 (2018)  1 - p. , 2018
Link: https://doi.org/10.1038/..
 
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