Results 101 to 110 of about 11,478 (188)

Can Ai Revolutionize Qspr Models for the Chemical Mixtures Hazards?

Chemical Engineering Transactions
The physical hazards of chemical mixtures are typically characterized using experimental tools that could benefit to be prioritized by using predictive methods.
Guillaume Fayet, Nour Helou, Patricia Rotureau   +2 more
doaj  

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

CORAL: the prediction of biodegradation of organic compounds with optimal SMILES-based descriptors

Open Chemistry, 2012
Toropov Andrey, Toropova Alla, Lombardo Anna, Roncaglioni Alessandra, Brita Nicoletta, Stella Giovanni, Benfenati Emilio   +6 more
doaj   +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Correction to Retracted Article: Novel hybrid QSPR-GPR approach for modeling of carbon dioxide capture using deep eutectic solvents.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

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