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

1996Journal of Chemical Information and Computer Sciences引用 349
DOI
Computational Drug Discovery MethodsMachine Learning in Materials ScienceMolecular spectroscopy and chirality
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceMolecular spectroscopy and chirality
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity · 作者

J

Johann Gasteiger

P

Paul M. Selzer

J

Jan Schuur