Concepedia

3D-MoRSE descriptors explained

Oleg Devinyak, Dmytro Havrylyuk, Roman Lesyk

Journal of Molecular Graphics and Modelling · 2014 · 167 citations · 21 references

DOI

References

21

R: A Language and Environment for Statistical Computing

R Core Team · 2000 · 353K citations · Full text

, , +10

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

James J. P. Stewart · Journal of Molecular Modeling · 2012 · 2K citations · Full text

, , +15

Virtual Computational Chemistry Laboratory – Design and Description

Igor V. Tetko, Johann Gasteiger, Roberto Todeschini et al. · Journal of Computer-Aided Molecular Design · 2005 · 1.5K citations

, , +9

The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity

Jan Schuur, Paul M. Selzer, Johann Gasteiger · Journal of Chemical Information and Computer Sciences · 1996 · 349 citations

, , +17

ChemoPy: freely available python package for computational biology and chemoinformatics

Dongsheng Cao, Qing‐Song Xu, Qian‐Nan Hu et al. · Bioinformatics · 2013 · 245 citations · Full text

, , +17