Results 281 to 290 of about 4,217,992 (292)

On Drawing Molecular Graphs

2002
various methods to draw graphs are descibed and applied to geometry determination of mathematical (prisms and similar) and chemical structures (like fullerenes and torusenes).
openaire  

Water and salt permeability of monolayer graph-n-yne: Molecular dynamics simulations

Carbon, 2017
Bozhao Wu, Haibao Jin
exaly  

From Molecular Connectivity Indices to Semiempirical Connectivity Terms:  Recent Trends in Graph Theoretical Descriptors

Chemical Reviews, 2000
Lionello Pogliani
exaly  

Molecular cancer prevention: Current status and future directions

Ca-A Cancer Journal for Clinicians, 2015
Kenneth Y Tsai, Powel Brown, Eva SZABÓ   +2 more
exaly  

A Topology‐Enhanced Multi‐Viewed Contrastive Approach for Molecular Graph Representation Learning and Classification

Molecular Informatics
Phu Pham
exaly  

SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction

Molecules
Yajie Hao, Sanjeevi Pandiyan, Ailu Fei   +2 more
exaly  

Graph Kernels for Molecular and Reduced Graphs [PDF]

, 2007
Demco, Anthony, Saunders, Craig
openaire  

Multi-scale cross-attention transformer via graph embeddings for few-shot molecular property prediction

Applied Soft Computing Journal
Luis H M Torres, B Ribeiro, Joel P Arrais   +2 more
exaly  

1. Basics of graphs and molecular graphs

2013
openaire   +1 more source

Graph Theoretical Applications of Molecular Graphs

2017
Yurttaş, Aysun, Cangül, İsmail Naci, Çevik, Ahmet Sinan, Togan, Muge   +3 more
openaire   +1 more source