Results 121 to 130 of about 25,271,406 (229)

QSPR/QSAR study of antiviral drugs modeled as multigraphs by using TI’s and MLR method to treat COVID-19 disease

Scientific Reports
The ongoing COVID-19 pandemic continues to pose significant challenges worldwide, despite widespread vaccination. Researchers are actively exploring antiviral treatments to assess their efficacy against emerging virus variants. The aim of the study is to
Ugasini Preetha P, M. Suresh, Fikadu Tesgera Tolasa, Ebenezer Bonyah   +3 more
doaj   +1 more source

Computer-aided solvent selection and design for efficient chemical processes

, 2020
Linke, S., McBride, K., Song, Z., Sundmacher, K., Zhou, T.   +4 more
core   +1 more source

Erratum to "Degree-based topological indices on anticancer drugs with QSPR analysis" [Heliyon 6 (6) (June 2020) e04235]. [PDF]

Heliyon, 2020
Shanmukha MC, Basavarajappa NS, Shilpa KC, Usha A.   +3 more
europepmc   +1 more source

Probing Substrate/Catalyst Effects Using QSPR Analysis on Friedel-Crafts Acylation Reactions over Hierarchical BEA Zeolites. [PDF]

Molecules, 2020
Elvas-Leitão R, Martins F, Borbinha L, Marranita C, Martins A, Nunes N.   +5 more
europepmc   +1 more source

Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]

Front Chem
Salini Jancy Rani A, Balamurugan BJ.
europepmc   +1 more source

EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions [PDF]

, 2015
Clark, Timothy, Hennemann, Matthias, Margraf, Johannes T., Meyer, Bernd   +3 more
core   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

On machine learning based QSPR analysis of amphetamine derivatives using regression models. [PDF]

Sci Rep
Hanif MF, Hashem AF, Hussain M, Fiidow OA.   +3 more
europepmc   +1 more source

Efficient algorithm on exponential Wiener index and QSPR analysis of alkanes and benzenoid hydrocarbons. [PDF]

Sci Rep
Punitha S, Kannan K, Menaga A.
europepmc   +1 more source

Biological communication via molecular surfaces [PDF]

, 2006
Byler, K., Clark, Tim, De Groot, M.
core   +1 more source