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Simone Sciabola
ORCID
Publication Activity (10 Years)
Years Active: 2007-2023
Publications (10 Years): 4
Top Topics
Posterior Probability
Multiclass Classification
Training And Test Data
Active Learning
Top Venues
CoRR
J. Chem. Inf. Model.
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Publications
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Zhonglin Cao
,
Simone Sciabola
,
Ye Wang
Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening.
CoRR
(2023)
Cheng Fang
,
Ye Wang
,
Richard Grater
,
Sudarshan Kapadnis
,
Cheryl Black
,
Patrick E. Trapa
,
Simone Sciabola
Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective.
J. Chem. Inf. Model.
63 (11) (2023)
Wenlu Wang
,
Ye Wang
,
Honggang Zhao
,
Simone Sciabola
A Transformer-based Generative Model for De Novo Molecular Design.
CoRR
(2022)
Qin Wang
,
Simone Sciabola
,
Gabriela Barreiro
,
Xinjun Hou
,
Guoyun Bai
,
Michael J. Shapiro
,
Frank Koehn
,
Anabella Villalobos
,
Matthew P. Jacobson
Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.
J. Chem. Inf. Model.
56 (11) (2016)
Simone Sciabola
,
Robert V. Stanton
,
James E. J. Mills
,
Maria M. Flocco
,
Massimo Baroni
,
Gabriele Cruciani
,
Francesca Perruccio
,
Jonathan S. Mason
High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields.
J. Chem. Inf. Model.
50 (1) (2010)
Simone Sciabola
,
Robert V. Stanton
,
Sarah Wittkopp
,
Scott A. Wildman
,
Deborah J. Moshinsky
,
Shobha Potluri
,
Hualin Xi
Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis.
J. Chem. Inf. Model.
48 (9) (2008)
Simone Sciabola
,
Iñaki Morao
,
Marcel J. de Groot
Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability.
J. Chem. Inf. Model.
47 (1) (2007)
Massimo Baroni
,
Gabriele Cruciani
,
Simone Sciabola
,
Francesca Perruccio
,
Jonathan S. Mason
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application.
J. Chem. Inf. Model.
47 (2) (2007)