QSAR-Guided Generative Framework for the Discovery of Synthetically Viable Odorants
physics.chem-ph, cs.LG, q-bio.BM, q-bio.QM
Submitted: 2025-12-28
Updated: 2026-10-12
Project page: https://mordred-descriptor.github.io/documentation
Terminology
Sources
Related papers
- Solvating machine-learning interatomic potentials for solution-phase chemistry
- Transferable Generative Models Bridge Femtosecond to Nanosecond Time-Step Molecular Dynamics
- Accelerated "on-the-fly" coupled-cluster path-integral molecular dynamics: Impact of nuclear quantum effects on an asymmetric proton
- Learning Non-Local Molecular Interactions via Equivariant Local Representations and Charge Equilibration
- Variational Polaron Theory for Ground States of Strongly Coupled Light-Matter and Electron-Phonon Systems
- Pushing the accuracy of on-top functionals with agent-driven supervised learning