Results 91 to 100 of about 11,478 (188)

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

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

QSPR study on pKa values of N-methoxy-polynitroaniline derivatives

Open Chemistry, 2005
Beteringhe Adrian
doaj   +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

Biological communication via molecular surfaces [PDF]

, 2006
Byler, K., Clark, Tim, De Groot, M.
core   +1 more source

Computer-aided solvent selection and design for efficient chemical processes

, 2020
Linke, S., McBride, K., Song, Z., Sundmacher, K., Zhou, T.   +4 more
core   +1 more source

EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions [PDF]

, 2015
Clark, Timothy, Hennemann, Matthias, Margraf, Johannes T., Meyer, Bernd   +3 more
core   +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

QSPR modelling of the octanol/water partition coefficient of organometallic substances by optimal SMILES-based descriptors

Open Chemistry, 2009
Toropov Andrey, Toropova Alla, Benfenati Emilio   +2 more
doaj   +1 more source