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This work aims to assess the molecular architectures of anti-tuberculosis drugs using both degree-based topological indices and novel distance based indices. We can represent the chemical arrangement as a graph, with atoms serving as the vertices and connections as the edges. Here, the multi bonds were considered as multi edges and included all the hydrogen atoms. Also, we consider three dimensional molecular graph. As a result, the actual bond lengths have been used for computation of new distance based indices. Compared to numerous studies, this is a significant improvement. Furthermore, the investigation of these indices includes a study on the quantitative structure-property relationship (QSPR). The research demonstrates a notable correlation between these indicators and the physical attributes of anti-tuberculosis drugs. Here, Since we reduced the some of existing critical assumptions in the literature, chemists and pharmaceutical professionals might potentially eliminate the need for clinical trials by employing this theoretical model. These models would enable them to predict the characteristics of anti-tuberculosis medications.

A graph $G$ consists of vertices $V(G)$ and edges $E(G)$. In this paper, we propose four new indices defined and named as first Rehan-Lanel index of $G$ $(RL_1)$, second Rehan-Lanel index of $G$ $(RL_2)$, second Rehan-Lanel index of $G$, third Rehan-Lanel index of $G$, $(RL_3)$ and fourth Rehan-Lanel index of $G$ $(RL_4)$. The degrees of the vertices $u, v \in V(G)$ are denoted by $d_G(u)$ and $d_G(v)$. Based on these new indices and the definitions of Revan degree, Domination degree, Banhatti degree, Temperature of a vertex, KV indices, we subsequently introduced an additional 448 indices/exponentials and computed results for the first four new indices of each subsequent definition, for the standard graphs such as $r-$ regular graph, complete graph, cycle, path and compete bipartite graph. In addition, we performed calculations for the Wheel graph, Sunflower graph, and French Windmill graph. Furthermore, using the exponential of a degree of a vertex, the centrality concept, we introduced another 8 indices. Furthermore, we defined a new degree called Chandana-Lanel degree of a vertex of a graph(CL degree). Using this degree, new 6 indices were defined. Also, we defined the index called the Heronian Rehan-Lanel index using the Heronian mean of two numbers. These novel 462 indices would be advantageous in QSPR/QSAR studies.