Results 141 to 150 of about 25,271,406 (229)

Machine learning-based QSPR modeling for predicting the <i>n</i>-octanol/air partition coefficient of polybrominated diphenyl ethers. [PDF]

iScience
Wu W, Chen H, Liu Z, Yan W, Wu D, Chen J, Liu J, Xing Z.   +7 more
europepmc   +1 more source

Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases. [PDF]

Sci Rep
Imran M, Aqib M, Malik MA, Jutt S.
europepmc   +1 more source

Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]

Sci Rep
Yuvaraj A, Kalaimurugan G, Thamizhmaran R, Tajudeen MM, Contreras RC.   +4 more
europepmc   +1 more source

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

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

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