Results 271 to 280 of about 59,986 (298)

PyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors

Chemometrics and Intelligent Laboratory Systems, 2017
Vesna Rastija
exaly  

Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors

Chemosphere, 2000
Paola Gramática, Viviana Consonni
exaly  

Families of Molecular Descriptors

2020
Lorentz Jäntschi, Sorana D. Bolboacă
openaire   +1 more source

Multiple Regression Analysis with Optimal Molecular Descriptors

SAR and QSAR in Environmental Research, 2000
Milan Randic
exaly  

On the Calculation of the Molecular Descriptor '/.

J. Chem. Inf. Comput. Sci., 1998
Dejan Plavsic, Milan Soskic, Nella Lers
openaire   +1 more source

Theoretically-derived molecular descriptors important in human intestinal absorption

Journal of Pharmaceutical and Biomedical Analysis, 2001
Snezana Agatonovic-Kustrin
exaly  

Handbook of Molecular Descriptors

2000
TODESCHINI, ROBERTO, CONSONNI, VIVIANA
openaire   +1 more source

Small Data Machine Learning: Classification and Prediction of Poly(ethylene terephthalate) Stabilizers Using Molecular Descriptors

ACS Applied Polymer Materials, 2020
Aaron L Liu, Rahul Venkaṭesh, Michael Mcbride   +2 more
exaly  

Generation of Descriptors from Molecular Structures

Journal of Chemical Information and Computer Sciences, 1976
W. E. Brugger, A. J. Stuper, Peter C. Jurs   +2 more
openaire   +1 more source

From Molecular Connectivity Indices to Semiempirical Connectivity Terms:  Recent Trends in Graph Theoretical Descriptors

Chemical Reviews, 2000
Lionello Pogliani
exaly