Simon Cross

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 3

Top Topics

Single Molecule

Crystal Structure

Molecular Docking

Top Venues

Journal of chemical information and modeling

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Loriano Storchi, Gabriele Cruciani, Simon Cross
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction. Journal of chemical information and modeling (2023)
Simon Cross, Gabriele Cruciani
FragExplorer: GRID-Based Fragment Growing and Replacement. Journal of chemical information and modeling 62 (5) (2022)
Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. Journal of computational chemistry 42 (29) (2021)