Novel QSAR and QSPR descriptors?
, 2006 For the past few weeks I have been working on a review article, which will contain a section with new QSAR/QSPR descriptors published in the period 2000-now.
openaire +1 more source
Computer-aided solvent selection and design for efficient chemical processes
, 2020 Linke, S. +4 more
core +1 more source
On topological co-index polynomials for predictive modeling of the physicochemical properties of antiviral drugs. [PDF]
Sci RepMeharban S +6 more
europepmc +1 more source
EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions [PDF]
, 2015 Clark, Timothy +3 more
core +1 more source
Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]
Front ChemSalini Jancy Rani A, Balamurugan BJ.
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 JPingaew R +6 more
europepmc +1 more source
QSPR study on pKa values of N-methoxy-polynitroaniline derivatives
Open Chemistry, 2005 Beteringhe Adrian
doaj +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 RepShetty S, Rakshith BR, Udupa NVS.
europepmc +1 more source
Modelling π-electron energy of benzenes via Zagreb psi indices. [PDF]
J Comput Aided Mol DesYamaç K.
europepmc +1 more source