Is this you? As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.
Claim your profile
3DSMILES-GPT: 3D Molecular Pocket-based Generation with Token-only Large Language Model The generation of three-dimensional (3D) molecules based on target structures represents a cutting-edge challenge in drug discovery. Many existing approaches often produce molecules with invalid configurations, unphysical conformations, suboptimal drug-like qualities, limited synthesizability, and require extensive generation times.
Abstract Large language models (LLMs) have made substantial strides, but their use in reliably tackling issues within specialized domains, particularly in interdisciplinary areas like pharmaceutical sciences, is hindered by data heterogeneity, knowledge complexity, unique objectives, and a spectrum of constraint conditions. In this area, diverse modalities such as nucleic acids, proteins, molecular structures, and natural language are often involved.
As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.
