A survey on graphs extremal with respect to distance-based topological indices
A Survey on Graphs Extremal with Respect to Distance–Based Topological Indices Page 1 A
Survey on Graphs Extremal with Respect to Distance–Based Topological Indices Kexiang Xua …
Survey on Graphs Extremal with Respect to Distance–Based Topological Indices Kexiang Xua …
QSPR/QSAR: State-of-art, weirdness, the future
Ability of quantitative structure–property/activity relationships (QSPRs/QSARs) to serve for
epistemological processes in natural sciences is discussed. Some weirdness of …
epistemological processes in natural sciences is discussed. Some weirdness of …
Topological Indices and Related Descriptors in QSAR and QSPR Edited by James Devillers & Alexandru T. Balaban. Gordon and Breach Science Publishers …
DJ Klein - Journal of Chemical Information and Computer …, 2002 - ACS Publications
There are several different broad approaches to making correlations between chemical
structure and some desired property or bioactivity (either of which is here spoken of simply …
structure and some desired property or bioactivity (either of which is here spoken of simply …
On the Harary index for the characterization of chemical graphs
A novel topological index for the characterization of chemical graphs, derived from the
reciprocal distance matrix and named the Harary index in honor of Professor Frank Harary …
reciprocal distance matrix and named the Harary index in honor of Professor Frank Harary …
[BOOK][B] Discrete calculus: Applied analysis on graphs for computational science
LJ Grady, JR Polimeni - 2010 - Springer
The field of discrete calculus, also known as" discrete exterior calculus", focuses on finding a
proper set of definitions and differential operators that make it possible to operate the …
proper set of definitions and differential operators that make it possible to operate the …
Chatgpt-powered conversational drug editing using retrieval and domain feedback
Recent advancements in conversational large language models (LLMs), such as ChatGPT,
have demonstrated remarkable promise in various domains, including drug discovery …
have demonstrated remarkable promise in various domains, including drug discovery …
A novel PI index and its applications to QSPR/QSAR studies
PV Khadikar, S Karmarkar… - Journal of chemical …, 2001 - ACS Publications
A novel topological index, PI (Padmakar− Ivan index), is derived in this paper. The index is
very simple to calculate and has disseminating power similar to that of the Wiener (W) and …
very simple to calculate and has disseminating power similar to that of the Wiener (W) and …
Some recent results in the theory of the Wiener number
I Gutman, YN Yeh, SL Lee, YL Luo - 1993 - nopr.niscpr.res.in
The Wiener number (W) is equal to the some of distances between all pairs of vertices of the
molecular graph. This important topological index was invented in the 1940, but vigorous …
molecular graph. This important topological index was invented in the 1940, but vigorous …
The Wiener index: Development and applications
Sažetak The definitions and methods of computing the Wiener index are reviewed. It is
pointed out that the Wiener index is a useful topological index in the structure-property …
pointed out that the Wiener index is a useful topological index in the structure-property …
Advances of machine learning in materials science: Ideas and techniques
In this big data era, the use of large dataset in conjunction with machine learning (ML) has
been increasingly popular in both industry and academia. In recent times, the field of …
been increasingly popular in both industry and academia. In recent times, the field of …