Next Article in Journal
Rosiglitazone modifies PEDF gene expression and protein levels in the Koletsky rat choroid-RPE complex
Previous Article in Journal
Instructions for Authors 2008
 
 
Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
Journals
Sci. Pharm.
Volume 76
Issue 2
10.3797/scipharm.0804-12
scipharm-logo
Submit to this Journal Review for this Journal Propose a Special Issue
► Article Menu

Article Menu

share Share announcement Help format_quote Cite question_answer Discuss in SciProfiles thumb_up
...
Endorse textsms
...
Comment
Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
first_page
settings
Order Article Reprints
Font Type:
Arial Georgia Verdana
Font Size:
Aa Aa Aa
Line Spacing:
Column Width:
Background:
Review

Chemical Structure Indices in In Silico Molecular Design

by
Yenamandra S. PRABHAKAR
* and
Manish K. GUPTA
Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow-226 001, India
*
Author to whom correspondence should be addressed.
Sci. Pharm. 2008, 76(2), 101-132; https://doi.org/10.3797/scipharm.0804-12
Submission received: 9 April 2008 / Accepted: 2 May 2008 / Published: 7 May 2008
Versions Notes

Abstract

The chemical structure indices have a significant role in providing direction to the design of chemotherapeutic agents. These indices come from the experimental domain as well as through the computations. While the experimental properties of compounds have practical value, the indices from computational domain offer fast and economic inputs to simulations. This review article discusses various methods and issues involved in the generation of physicochemical, quantum chemical, graph theoretical, chirality indices, flexible descriptors, molecular fingerprints and 3D chemical space descriptors etc for in silico molecular design approaches. A futuristic perspective of structural indices in drug design is outlined.
Keywords: Chemical structure indices; In silico drug design; QSAR; Molecular modeling Chemical structure indices; In silico drug design; QSAR; Molecular modeling

Share and Cite

MDPI and ACS Style

PRABHAKAR, Y.S.; GUPTA, M.K. Chemical Structure Indices in In Silico Molecular Design. Sci. Pharm. 2008, 76, 101-132. https://doi.org/10.3797/scipharm.0804-12

AMA Style

PRABHAKAR YS, GUPTA MK. Chemical Structure Indices in In Silico Molecular Design. Scientia Pharmaceutica. 2008; 76(2):101-132. https://doi.org/10.3797/scipharm.0804-12

Chicago/Turabian Style

PRABHAKAR, Yenamandra S., and Manish K. GUPTA. 2008. "Chemical Structure Indices in In Silico Molecular Design" Scientia Pharmaceutica 76, no. 2: 101-132. https://doi.org/10.3797/scipharm.0804-12

APA Style

PRABHAKAR, Y. S., & GUPTA, M. K. (2008). Chemical Structure Indices in In Silico Molecular Design. Scientia Pharmaceutica, 76(2), 101-132. https://doi.org/10.3797/scipharm.0804-12

Article Metrics

Back to TopTop