Machine learning-based QSPR modeling for predicting the <i>n</i>-octanol/air partition coefficient of polybrominated diphenyl ethers. [PDF]
Wu W +7 more
europepmc +1 more source
Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases. [PDF]
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]
Yuvaraj A +4 more
europepmc +1 more source
Interpreting Molecular Descriptors for Glass Transition Temperature Prediction and Design of Polyimides. [PDF]
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]
Akhbari 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]
Altairi A +3 more
europepmc +1 more source
Predictive topological modeling of the structure-property relationships in naturally occurring anti-cancer chalcones. [PDF]
Obaid AAR +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]
Kara Y +3 more
europepmc +1 more source
Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]
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]
Zhang G +6 more
europepmc +1 more source

