Results 131 to 140 of about 6,707 (205)

Prodeg type Shannon graph entropies with closed forms bounds and QSPR modeling. [PDF]

Sci Rep
Alsharafi M, Zeren Y.
europepmc   +1 more source

Boosting the Prediction Accuracy of Glass Transition Temperature in Polyimides: A Hybrid Machine Learning Approach Integrating Morgan Fingerprints and Molecular Descriptors. [PDF]

Mol Inform
Xing P, Guo X, Wang Y, Chen Z, Shen S, He B, Li T, Peng D, Yang Z.   +8 more
europepmc   +1 more source

Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]

Front Chem
Salini Jancy Rani A, Balamurugan BJ.
europepmc   +1 more source

Machine Learning Techniques for Computational Characterization of Protein-Associated Small Molecules with Therapeutic Relevance. [PDF]

ACS Omega
Ali J, Aqib M, Ali Y, Malik MA.
europepmc   +1 more source

Partitioning Parameters of <i>N-</i>Nitrosamines: An Intercomparison of Determination Methods. [PDF]

J Phys Chem B
Bugher NA, Zheng JW, Wardle AS, Green WH, Plata DL.   +4 more
europepmc   +1 more source

Modelling π-electron energy of benzenes via Zagreb psi indices. [PDF]

J Comput Aided Mol Des
Yamaç K.
europepmc   +1 more source

Synthesis, Biological Studies, and <i>In Silico</i>-Driven Design of 8-Aminoquinoline-Based Sulfonamide Derivatives as Potential Antioxidant and Antimicrobial Agents. [PDF]

Comput Struct Biotechnol J
Pingaew R, Worachartcheewan A, Prachayasittikul V, Cherdtrakulkiat R, Prachayasittikul S, Ruchirawat S, Prachayasittikul V.   +6 more
europepmc   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

Structure-efficiency relationship of access group antibiotics via SK chromatic descriptors. [PDF]

Front Chem
Rajambigai R, Praveen T, Ravi Sankar J.
europepmc   +1 more source