From Structure-Activity to Structure-Selectivity Relationships: Quantitative Assessment, Selectivity Cliffs, and Key Compounds-Reference-Cited by-同舟云学术

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From Structure-Activity to Structure-Selectivity Relationships: Quantitative Assessment, Selectivity Cliffs, and Key Compounds

Published:2009-11-02 Issue:11 Volume:4 Page:1864-1873
ISSN:1860-7179
Container-title:ChemMedChem
language:en
Short-container-title:ChemMedChem

Author:

Peltason Lisa,Hu Ye,Bajorath Jürgen

Publisher

Wiley

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics,Molecular Medicine,Drug Discovery,Biochemistry,Pharmacology

Reference24 articles.

1. On Outliers and Activity CliffsWhy QSAR Often Disappoints

2. Molecular Similarity Analysis Uncovers Heterogeneous Structure-Activity Relationships and Variable Activity Landscapes

3. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches

4. QSAR and 3D QSAR in drug design Part 1: methodology

5. Methods for Applying the Quantitative Structure-Activity Relationship Paradigm

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1. Machine Learning Approaches to Predict the Selectivity of Compounds against HDAC1 and HDAC6;Journal of Computational Biophysics and Chemistry;2024-06-10

2. Cheminformatics Analysis of the Multitarget Structure–Activity Landscape of Environmental Chemicals Binding to Human Endocrine Receptors;ACS Omega;2023-12-13

3. Cheminformatics analysis of multi-target structure-activity landscape of environmental chemicals binding to human endocrine receptors;2023-10-10

4. Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications;Journal of Medicinal Chemistry;2023-04-04

5. Machine learning approaches to quantitively predict selectivity of compounds against hDAC1 and hDAC6 isoforms;2022-07-11

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