Results 111 to 120 of about 11,633 (209)

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

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

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

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

Correction to Retracted Article: Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents. [PDF]

RSC Adv
Salahshoori I, Baghban A.
europepmc   +1 more source

Toward Environment-Sensitive Molecular Inference via Mixed Integer Linear Programming. [PDF]

ACS Omega
Zhu J, Takekida M, Azam NA, Haraguchi K, Zhao L, Akutsu T.   +5 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

QSAR/QSPR and Proprietary Data [PDF]

Journal of Chemical Information and Modeling, 2006
openaire   +1 more source

Lower bounds for the Zagreb indices of trees with given total domination number and its applications in QSPR studies of alkanes. [PDF]

Sci Rep
Manuel M, Parthiban A.
europepmc   +1 more source