Results 151 to 160 of about 3,379 (242)

Quantitative structure-property relationship analysis of critical properties of individual organic compounds

Trudy Odesskogo Politehničeskogo Universiteta
This work presents the development and analysis of robust QSPR models for critical properties (pressure PC, temperature TC, and volume VC). The object of this study is a database consisting of 399 different organic compounds.
Єгор Костянтинович Пестерев, Людмила Миколаївна Огніченко, Анатолій Григорович Артеменко, Марія Євгенівна Кічьова, Наіль Ніязович Муратов, Кузьмін Віктор Євгенович   +5 more
doaj  

QSPR Analysis of Antiplatelet Agents and Dual Antiplatelet Therapy Using Label-Based Topological Indices and Lagrange Interpolation Techniques

Abaid ur Rehman Virk, Khurram Shabbir, Sami Barhoumi   +2 more
openalex   +1 more source

QSPR analysis of physico-chemical and pharmacological properties of medications for Parkinson's treatment utilizing neighborhood degree-based topological descriptors. [PDF]

Sci Rep
Ravi V, Chidambaram N.
europepmc   +1 more source

A new variant of the Sombor matrix: bounds on spectral radius and energy with applications to QSPR analysis of COVID-19 drugs

G. Veeresha, Pannagadatta K. Shivaswamy, R. Sujatha   +2 more
openalex   +2 more sources

On QSPR analysis of pulmonary cancer drugs using python-driven topological modeling. [PDF]

Sci Rep
Qin H, Hussain M, Hanif MF, Siddiqui MK, Hussain Z, Fiidow MA.   +5 more
europepmc   +1 more source

Retraction notice to "A paradigmatic approach to the topological measure of babesiosis drugs and estimating physical properties via QSPR analysis" [Heliyon 11 (2025) e41615]. [PDF]

Heliyon
Awan NUH, Ghani MU, Bibi S, Kirmani SAK, Abdalla MEM.   +4 more
europepmc   +1 more source

Computational ADMET, Drug-Likeness, QSPR and Molecular Docking Analysis of Phytochemicals from Avicennia marina

Shital S. Chavan, Prashant B. Shamkuwar, Manoj G. Damale   +2 more
openalex   +2 more sources

QSPR analysis for the retention index of flavors and fragrances on a OV-101 column

, 2014
Cristian Rojas, Pablo R. Duchowicz, Piercósimo Tripaldi, Reinaldo Pis Diez   +3 more
openalex   +2 more sources

A note on QSPR analysis of 3-total Wiener Polarity Index

, 2021
Aldemir, Mehmet Şerif, Çiftçi, İdris, Ediz, Süleyman, Soygüder, Süleyman, Cancan, Murat   +4 more
openaire   +3 more sources

Mathematical modeling and QSPR analysis of hepatitis treatment drugs through connection indices an innovative approach. [PDF]

Heliyon
Hakami KH, Khan AR, Ali M.
europepmc   +1 more source