Web-based quantitative structure–activity relationship resources facilitate effective drug discovery
YL Wang, JY Li, XX Shi, Z Wang, GF Hao… - Topics in Current …, 2021 - Springer
Traditional drug discovery effectively contributes to the treatment of many diseases but is
limited by high costs and long cycles. Quantitative structure–activity relationship (QSAR) …
limited by high costs and long cycles. Quantitative structure–activity relationship (QSAR) …
Cloud 3D-QSAR: a web tool for the development of quantitative structure–activity relationship models in drug discovery
YL Wang, F Wang, XX Shi, CY Jia, FX Wu… - Briefings in …, 2021 - academic.oup.com
Effective drug discovery contributes to the treatment of numerous diseases but is limited by
high costs and long cycles. The Quantitative Structure–Activity Relationship (QSAR) method …
high costs and long cycles. The Quantitative Structure–Activity Relationship (QSAR) method …
An analysis of QSAR research based on machine learning concepts
MR Keyvanpour, MB Shirzad - Current Drug Discovery …, 2021 - ingentaconnect.com
Quantitative Structure–Activity Relationship (QSAR) is a popular approach developed to
correlate chemical molecules with their biological activities based on their chemical …
correlate chemical molecules with their biological activities based on their chemical …
QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches… - Journal of medicinal …, 2014 - ACS Publications
Quantitative structure–activity relationship modeling is one of the major computational tools
employed in medicinal chemistry. However, throughout its entire history it has drawn both …
employed in medicinal chemistry. However, throughout its entire history it has drawn both …
Experimental errors in QSAR modeling sets: what we can do and what we cannot do
Numerous chemical data sets have become available for quantitative structure–activity
relationship (QSAR) modeling studies. However, the quality of different data sources may be …
relationship (QSAR) modeling studies. However, the quality of different data sources may be …
[PDF][PDF] Encyclopedia of bioinformatics and computational biology
Quantitative structure-activity relationship (QSAR) methods are important for prediction of
biological effect of chemical compounds based on mathematical and statistical relations …
biological effect of chemical compounds based on mathematical and statistical relations …
[HTML][HTML] Ezqsar: an R package for developing QSAR models directly from structures
J Shamsara - The Open Medicinal Chemistry Journal, 2017 - ncbi.nlm.nih.gov
Background: Quantitative Structure Activity Relationship (QSAR) is a difficult computational
chemistry approach for beginner scientists and a time consuming one for even more …
chemistry approach for beginner scientists and a time consuming one for even more …
PyQSAR: a fast QSAR modeling platform using machine learning and jupyter notebook
S Kim, KH Cho - Bulletin of the Korean Chemical Society, 2019 - Wiley Online Library
Understanding the relationship between structure and property is important in current
research works. The QSAR/QSPR (Quantitative Structure–Activity Relationship/Quantitative …
research works. The QSAR/QSPR (Quantitative Structure–Activity Relationship/Quantitative …
Towards the revival of interpretable QSAR models
W Shoombuatong, P Prathipati, W Owasirikul… - Advances in QSAR …, 2017 - Springer
Quantitative structure-activity relationship (QSAR) has been instrumental in aiding medicinal
chemists and physical scientists in understanding how modification of substituents at …
chemists and physical scientists in understanding how modification of substituents at …
Comprehensive ensemble in QSAR prediction for drug discovery
Background Quantitative structure-activity relationship (QSAR) is a computational modeling
method for revealing relationships between structural properties of chemical compounds …
method for revealing relationships between structural properties of chemical compounds …