Results 131 to 140 of about 7,878 (217)

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

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

Molecular Determinants of Per- and Polyfluoroalkyl Substances Binding to Estrogen Receptors. [PDF]

Toxics
Mada S, Jordan S, Mathew J, Loveranes C, Moran J, Ganesh H, Dakshanamurthy S.   +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

7th German Conference on Chemoinformatics: 25 CIC-Workshop : Goslar, Germany, 6 - 8 November 2011 ; meeting abstracts / Edited by Frank Oellien, Uli Fechner and Thomas Engel [PDF]

, 2012
Engel, Thomas, Fechner, Uli, Oellien, Frank   +2 more
core  

DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression. [PDF]

Sci Rep
Saeed F, Idrees N, Imran M.
europepmc   +1 more source

Symmetry-guided monomer design enables the combinatorial synthesis and targeted screening of polyesters. [PDF]

Chem Sci
Feng X, He X, Zhu J, Lin LH, Shang Q, Luo ZH, Zhou YN, Yan F.   +7 more
europepmc   +1 more source

Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]

Front Chem
Pandeeswari E, Ravi Sankar J.
europepmc   +1 more source

Lower bounds for the Zagreb indices of trees with given total domination number and its applications in QSPR studies of alkanes. [PDF]

Sci Rep
Manuel M, Parthiban 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