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Simon Cross

3PUBLICATIONS

5CO-AUTHORS

Deep learningBiomolecular modelling and design

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Publications (3)

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|Aug 28, 2023

DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction.

Loriano Storchi, Gabriele Cruciani, Simon Cross

|Feb 04, 2022

FragExplorer: GRID-Based Fragment Growing and Replacement.

Simon Cross, Gabriele Cruciani

|Aug 19, 2021

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications.

Sara Tortorella, Emanuele Carosati, Giulia Sorbi

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Frequent Collaborators

3 joint publications

Gabriele Cruciani

2 joint publications

Loriano Storchi

1 joint publications

Sara Tortorella

1 joint publications

Emanuele Carosati

1 joint publications

Giovanni Bocci

Frequent Collaborators

3 joint publications

Gabriele Cruciani

2 joint publications

Loriano Storchi

1 joint publications

Sara Tortorella

1 joint publications

Emanuele Carosati

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