Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors (original) (raw)

Review on: quantitative structure activity relationship (QSAR) modeling

Umma Muhammad

Journal of analytical & pharmaceutical research, 2018

View PDFchevron_right

Quantitative structure-activity relationships (QSARs): A few validation methods and software tools developed at the DTC laboratory†

Kunal Roy

2018

View PDFchevron_right

Computational Methods in Developing Quantitative StructureActivity Relationships (QSAR): A Review

jorge galvez

Combinatorial Chemistry & High Throughput Screening, 2006

View PDFchevron_right

Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective

Shanti Gopal Patra

Pharmaceuticals

View PDFchevron_right

Quantitative Structure-Activity relationship (QSAR) models for predicting Toxicity of Dioxin compounds

Balarabe Sarki Sagagi

Journal of Computational Methods in Molecular Design, 2016

View PDFchevron_right

Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models

g narahari sastry

Organic and Medicinal Chemistry Letters, 2011

View PDFchevron_right

Quantitative Structure-Based Modeling Applied to Characterization and Prediction of Chemical Toxicity

Ann Richard

Methods, 1998

View PDFchevron_right

QSAR Studies as Strategic Approach in Drug Discovery

International Journal of Scientific Research in Chemistry IJSRCH

International Journal of Scientific Research in Chemistry, 2019

View PDFchevron_right

Quantitative Structure-Activity Relationships: A Novel Approach of Drug Design and Discovery

Sourabh Jain

View PDFchevron_right

Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs

Marjan Vračko

Journal of Chemical Information and Modeling, 2005

View PDFchevron_right

Biological Activity and Toxicity: A Conceptual DFT Approach

Sudip Pan

View PDFchevron_right

A practical overview of quantitative structure-activity relationship

Virapong Prachayasittikul

Exp. Clin. Sci. …, 2009

View PDFchevron_right

The Measurement of Molecular Biological Activity based on Quantitative Structure Activity Relationships

Hamza Hentabli

International Journal of Innovative Computing, 2018

View PDFchevron_right

The potential of computer-based quantitative structure activity approaches for predicting acute toxicity of chemicals

Elton Zvinavashe

2008

View PDFchevron_right

QSAR -Hansch Analysis and Related Approaches in Drug Design

SAIMAN TRIPATHY

View PDFchevron_right

Applications of QSAR Study in Drug Design

Almir Badnjevic

Applications of QSAR Study in Drug Design

View PDFchevron_right

Development of quantitative structure–activity relationship (QSAR) models to predict the carcinogenic potency of chemicals. II. Using oral slope factor as a measure of carcinogenic potency

Chandrika Moudgal

Regulatory Toxicology and Pharmacology, 2011

View PDFchevron_right

Computer-Aided Linear Modeling Employing Qsar for Drug Discovery

Nnenna Ibezim

Scientific Research and Essays, 2009

View PDFchevron_right

Weighted Feature Significance: A Simple, Interpretable Model of Compound Toxicity Based on the Statistical Enrichment of Structural Features

J. Inglese, Noel Southall

Toxicological Sciences, 2009

View PDFchevron_right

Modeling of the acute toxicity of benzene derivatives by complementary QSAR methods

Károly Héberger

View PDFchevron_right

The influence of molecular lowest-energy conformation on the quality of the subsequent quantitative structure-activity relationship models

Jiazhong Li

View PDFchevron_right

Dynamic 3D QSAR techniques: applications in toxicology

Nina Nikolova

Journal of Molecular Structure: THEOCHEM, 2003

View PDFchevron_right

QSAR Approach for the Selection of Congeneric Compounds with Similar Toxicological Modes of Action

Paola Gramatica

Springer eBooks, 2000

View PDFchevron_right

Predictive QSAR Modeling for the Successful Predictions of the ADMET Properties of Candidate Drug Molecules

Ingebrigt Sylte

Current Drug Discovery Technologies, 2007

View PDFchevron_right

QSAR approach for the selection of congeneric compounds with a similar toxicological mode of action

Roberto Todeschini

Chemosphere, 2001

View PDFchevron_right

Prediction of inhibition effect of some aliphatic and aromatic organic compounds using QSAR method

Nasser Goudarzi

Journal of Environmental Chemistry and Ecotoxicology Vol, 2010

View PDFchevron_right

Multi-dimensional QSAR in drug discovery

Markus Lill

Drug Discovery Today, 2007

View PDFchevron_right

3D-QSAR in Drug Design -A Review

Archbald Chakalila

View PDFchevron_right