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Journal Article
Journal of Agricultural and Food Chemistry, ISSN 0021-8561, 02/2006, Volume 54, Issue 3, pp. 732 - 738
A database consisting of 168 dipeptides and 140 tripeptides was constructed from published literature to study the quantitative structure-activity... 
Quantitative structure-activity relationship (QSAR) | Angiotensin converting enzyme | Partial least squares regression | Bioactive peptides
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 02/2015, Volume 55, Issue 2, pp. 263 - 274
Neural networks were widely used for quantitative structure–activity relationships (QSAR) in the 1990s. Because of various practical issues (e.g., slow on... 
Algorithms | Prospective Studies | Workflow | Support Vector Machine | Drug Discovery | Machine Learning | Quantitative Structure-Activity Relationship | Neural Networks (Computer)
Journal Article
2015, Advances in chemical and materials engineering (ACME) book series, ISBN 1466681365
"This book discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and... 
Drugs | Design | Drug Antagonism | Risk Assessment | Drug-Related Side Effects and Adverse Reactions | Drug Design | Quantitative Structure-Activity Relationship
Web Resource
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2017, Volume 57, Issue 11, pp. 2618 - 2639
Journal Article
1983, ISBN 9780126951509, Volume 19., xii, 519
Book
Journal of Computational Chemistry, ISSN 0192-8651, 09/2011, Volume 32, Issue 12, pp. 2727 - 2733
For six random splits, one‐variable models of rat toxicity (minus decimal logarithm of the 50% lethal dose [pLD50], oral exposure) have been calculated with... 
SMILES | oral rat toxicity | QSAR | balance of correlations | Animals | Models, Biological | Drug-Related Side Effects and Adverse Reactions | Organic Chemicals - toxicity | Rats | Software | Quantitative Structure-Activity Relationship | Index Medicus
Journal Article