Development and application of novel molecular descriptors for predicting biological activity-Reference-Cited by-同舟云学术

Development and application of novel molecular descriptors for predicting biological activity

Published:2017-05-06 Issue:9 Volume:26 Page:1988-2006
ISSN:1054-2523
Container-title:Medicinal Chemistry Research
language:en
Short-container-title:Med Chem Res

Author:

Dutt R.^ORCID,Madan A. K.

Publisher

Springer Science and Business Media LLC

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics

Link

http://link.springer.com/article/10.1007/s00044-017-1906-x/fulltext.html

Reference72 articles.

1. Andres C, Hutter MC (2006) CNS permeability of drugs predicted by a decision tree. QSAR Comb Sci 25:305–309

2. Bajaj S, Sambi SS, Madan AK (2004) Predicting anti-HIV activity of phenethylthiazolethiourea (PETT) analogs: computational approach using Wiener’s topochemical index. J Mol Str (Theochem) 684:197–203

3. Bajaj S, Sambi SS, Madan AK (2005) Prediction of anti-inflammatory activity of N-arylanthranilic acids: computational approach using refined Zagreb indices. Croat Chem Acta 78:165–174

4. Bajaj S, Sambi SS, Madan AK (2006) Model for prediction of anti-HIV activity of 2-pyridinone derivatives using novel topological descriptors. QSAR Comb Sci 25:813–823

5. Balaban AT, Diudea MV (1993) Real number vertex invariants: Regressive distance sums and related topological indices. J Chem Inf Comput Sci 33:421–428

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. BHO-XGBoost Prediction Model for Biological Activity of ERα Inhibitor Compounds;2023 IEEE 11th Joint International Information Technology and Artificial Intelligence Conference (ITAIC);2023-12-08

2. Prediction of the Solubility of Acid Gas Hydrogen Sulfide in Green Solvent Ionic Liquids via Quantitative Structure–Property Relationship Models Based on the Molecular Structure;ACS Sustainable Chemistry & Engineering;2023-02-22

3. Activity prediction of anti-cancer drug candidate ER<bold>α</bold> inhibitor;Journal of Shenzhen University Science and Engineering;2022-09-01

4. Molecular Image-Based Prediction Models of Nuclear Receptor Agonists and Antagonists Using the DeepSnap-Deep Learning Approach with the Tox21 10K Library;Molecules;2020-06-15

5. Building Highly Reliable Quantitative Structure–Activity Relationship Classification Models Using the Rivality Index Neighborhood Algorithm with Feature Selection;Journal of Chemical Information and Modeling;2020-01-15