Predicting Molecular Geometry
Molecular Models
Fischer Projections
Molecular Shapes
Predicting Reaction Outcomes
Newman Projections
您也可能阅读
通过共同作者、期刊和引用图与本文相关的文章。
Han Li1, Ruotian Zhang1, Yaosen Min1
1Institute for Interdisciplinary Information Sciences, Tsinghua University, 100084, Beijing, China.
本研究介绍了KPGT (Knowledge-guided Pre-training of Graph Transformer) 的知识导向预训,这是一个用于分子表示学习的新框架. 通过克服当前图形神经网络预训练方法的局限性,KPGT提高了药物发现的分子性质预测.
09:34A Virtual Machine Platform for Non-Computer Professionals for Using Deep Learning to Classify Biological Sequences of Metagenomic Data
Published on: September 25, 2021
07:08Optimization of Synthetic Proteins: Identification of Interpositional Dependencies Indicating Structurally and/or Functionally Linked Residues
Published on: July 14, 2015
科学领域:
背景情况:
研究的目的:
主要方法:
主要成果:
结论: