Results 141 to 150 of about 11,635 (258)

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

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

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

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

Use of Three-Dimensional Molecular Descriptors to Predict the Glass Transition Temperature of Polymers. [PDF]

Polymers (Basel)
Jr HLO, Andrade MP, Lazzari LK, Zattera AJ.   +3 more
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