Quantitative structure–activity relationship-based computational approaches

V Bastikar, A Bastikar, P Gupta - … Designing to Mitigate SARS-CoV-2 …, 2022 - Elsevier
World Health Organization (WHO) categorized novel Coronavirus disease (COVID-19),
triggered by severe acute respiratory syndrome-Coronavirus-2 (SARS-CoV-2) as a world …

Applications of quantitative structure-activity relationships to drug design of piperazine derivatives

H Ohtaka - Pharmacochemistry Library, 1995 - Elsevier
Applications of quantitative structure-activity relationship (QSAR) procedures to our own
practical drug research are reviewed. A benzylpiperazine cerebral vasodilator (KB-2796) and a …

[PDF][PDF] Applications of QSAR study in drug design

L Abdel-Ilah, E Veljović, L Gurbeta… - Int J Eng Res …, 2017 - academia.edu
This article is a general review of different QSAR/QSPR studies in different previous
researches. R2 and Q2 parameters are used in some studies to predict the predictability and …

APPLICATIONS OF QUANTITATIVE STRUCTURE-ACTIVITY

T Fujita - QSAR and Drug Design: New Developments and …, 1995 - books.google.com
Applications of quantitative structure-activity relationship (QSAR) procedures to our own
practical drug research are reviewed. A benzylpiperazine cerebral vasodilator (KB-2796) and a …

Drug design education in China

W Fu, W Li, B Chen, J Zhang, Q Xie… - Biochemistry and …, 2023 - Wiley Online Library
With the emergence of innovative technologies, including combinatorial chemistry, high‐throughput
screening, computer‐aided drug design (CADD), artificial intelligence (AI) and big …

Neural networks applied to structure-activity relationships

T Aoyama, Y Suzuki, H Ichikawa - Journal of medicinal chemistry, 1990 - ACS Publications
… In Structure-Activity Relationship and Drug Design,Fujita, T., Ed.; Kagakudojin; Kyoto,
Japan, 1986; Chapter 9. (6) The constant was added to increase the recognition ability of the …

[PDF][PDF] A REVIEW ON: DRUG DESIGN (A REVOLUTION IN PHARMA RESEARCH)

S Gupta, R Kumar - 2022 - wjpr.s3.ap-south-1.amazonaws.com
Drug design is a well developed pharmaceutical discipline with a long history. Many developments
have been achieved in the field of drug design since Emil Fisher hypothesised at the …

[HTML][HTML] Mechanistic Study of Anticancer Activity of Some Known Aminopyrimidoisoquinolinequinones via QSAR Classification Methodology

MO Elfaki, MQS Sultan, IOK Mohammed - Computational Chemistry, 2019 - scirp.org
The impact of lipophilicity as represented by the logarithm of octanol/water partition coefficient
(logP), the combined steric/polarizability effect as represented by molar refractivity (MR) …

Fuzzy adaptive least squares applied to structure-activity and structure-toxicity correlations

I MORIGUCHI, S HIRONO, Y MATSUSHITA… - Chemical and …, 1992 - jstage.jst.go.jp
A 1991 version of fuzzy adaptive least squares (FALS91) has been developed to analyze
structure—activity rating data for generation of QSAR (quantitative structure—activity …

[CITATION][C] Chapter 27: Structure-activity relationship and drug design

A Osol - Remington's Pharmaceutical Sciences, 1980