Search Result "spectrum like descriptors"


The Applicability of Molecular Descriptors for Designing an Electrospray Ionization Mass Spectrometry Compatible Library for Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 806-815
Author(s): Jennifer C. Copeland, Levi J. Zehr, Ronald L. Cerny, Robert Powers

Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors

Ebook: Recent Trends on QSAR in the Pharmaceutical Perceptions
Volume: 1 Year: 2012
Author(s): M. Natália D.S. Cordeiro,Fernanda Borges,Aliuska Morales Helguera
Doi: 10.2174/978160805379711201010119

Research Article

Molecular Descriptors of Some Chemicals that Prevent COVID-19

Journal: Current Organic Synthesis
Volume: 18 Issue: 8 Year: 2021 Page: 729-741
Author(s): Sourav Mondal,Nilanjan De,Anita Pal,Wei Gao

Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications

Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Subhash C. Basak
Doi: 10.2174/9781608059287114010005

Molecular Descriptors in Chemoinformatics, Computational Combinatorial Chemistry, and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 3 Issue: 5 Year: 2000 Page: 363-372
Author(s): Ling Xue, Jurgen Bajorath

Potency-Scaled Partitioning in Descriptor Spaces with Increasing Dimensionality

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 797-803
Author(s): Jurgen Bajorath

Research Article

Degree Descriptors and Graph Entropy Quantities of Zeolite ACO

Journal: Current Organic Synthesis
Volume: 21 Issue: 3 Year: 2024 Page: 263-273
Author(s):

Variable Subset Selection in the Presence of Flagged Observations and Multicollinear Descriptors in QSAR

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 2 Year: 2005 Page: 163-177
Author(s): Peter P. Mager, Luis Sanchez

Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications

Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Subhash C. Basak
Doi: 10.2174/9781681081977115010005

Molecular Descriptors and Methods for Ligand Based Virtual High Throughput Screening in Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2099-2110
Author(s): Alfonso Pozzan

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