Representation of Molecular Configurations by CAST Coding Method-Reference-Cited by-同舟云学术

Representation of Molecular Configurations by CAST Coding Method

Published:2001-08-31 Issue:5 Volume:41 Page:1106-1112
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Satoh Hiroko¹,Koshino Hiroyuki¹,Funatsu Kimito¹,Nakata Tadashi¹

Affiliation:

1. RIKEN (The Institute of Physical and Chemical Research), 2-1 Hirosawa, Wako, Saitama 351-0198, Japan, PRESTO, Japan Science and Technology Corporation, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan, and Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, 1-1 Tempaku, Toyohashi, Aichi 441-8580, Japan

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci000136g

Reference14 articles.

1. Canonical numbering, stereochemical descriptors, and unique linear notations for polyhedral clusters

2. A new method of computer representation of stereochemistry. Transforming a stereochemical structure into a graph

Cited by 19 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exact solution for minimization of root mean square deviation with G-RMSD to determine molecular similarity;Bulletin of the Chemical Society of Japan;2024-03-28

2. G-RMSD: Root Mean Square Deviation Based Method for Three-Dimensional Molecular Similarity Determination;Bulletin of the Chemical Society of Japan;2021-02-15

3. Potential Energy Surface-Based Automatic Deduction of Conformational Transition Networks and Its Application on Quantum Mechanical Landscapes of d-Glucose Conformers;Journal of Chemical Theory and Computation;2016-10-05

4. Handling of Highly Symmetric Molecules for Chemical Structure Elucidation in a CAST/CNMR System;Journal of Computer Chemistry, Japan;2016

5. Chemical Structure Elucidation from 13C NMR Chemical Shifts: Efficient Data Processing Using Bipartite Matching and Maximal Clique Algorithms;Journal of Chemical Information and Modeling;2014-04-09