Results 141 to 150 of about 25,115,513 (232)

Interpreting Molecular Descriptors for Glass Transition Temperature Prediction and Design of Polyimides. [PDF]

Materials (Basel)
Cui T, Liu H, Liu X, Min Y.
europepmc   +1 more source

Developing a QSPR model for Alzheimer's drugs using topological indices and M-polynomial: A computational study. [PDF]

Sci Rep
Akhbari MH, Movahedi F, Zameni M, Shahavi MH.   +3 more
europepmc   +1 more source

From graph theory to chemoinformatics: modified bond-based indices and a hypothesis-driven multi-task QSAR/QSPR benchmark. [PDF]

Sci Rep
Altairi A, Alhaj Z, Alsharafi M, Zeren Y.   +3 more
europepmc   +1 more source

Predictive topological modeling of the structure-property relationships in naturally occurring anti-cancer chalcones. [PDF]

Sci Rep
Obaid AAR, Hakeem A, Ullah A, Zaman S, Ahmad H, Ali P, Belay MB.   +6 more
europepmc   +1 more source

Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology. [PDF]

Sci Rep
Kara Y, Sağlam Özkan Y, Bektaş AB, Arockiaraj M.   +3 more
europepmc   +1 more source

Leveraging topological indices and machine learning for advanced prediction of antidepressant drug properties. [PDF]

Sci Rep
Zhang G, Noureen S, Azam S, Abdalla MEM, Dafaalla ME, Aslam A, Tola KA.   +6 more
europepmc   +1 more source

Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source

Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]

Front Chem
Pandeeswari E, Ravi Sankar J.
europepmc   +1 more source

Novel eigenvector centrality indices for octane isomers to explore their physicochemical properties. [PDF]

Sci Rep
Rani ASJ, Balamurugan BJ.
europepmc   +1 more source

Symmetry-guided monomer design enables the combinatorial synthesis and targeted screening of polyesters. [PDF]

Chem Sci
Feng X, He X, Zhu J, Lin LH, Shang Q, Luo ZH, Zhou YN, Yan F.   +7 more
europepmc   +1 more source