Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
The precise prediction of molecular properties is essential for advancements in drug
development, particularly in virtual screening and compound optimization. The recent …
development, particularly in virtual screening and compound optimization. The recent …
Generalizable, Fast, and Accurate DeepQSPR with fastprop Part 1: Framework and Benchmarks
J Burns, W Green - arXiv preprint arXiv:2404.02058, 2024 - arxiv.org
Quantitative Structure Property Relationship studies aim to define a mapping between
molecular structure and arbitrary quantities of interest. This was historically accomplished …
molecular structure and arbitrary quantities of interest. This was historically accomplished …