Nano-based smart pesticide formulations: Emerging opportunities for agriculture
The incorporation of nanotechnology as a means for nanopesticides is in the early stage of
development. The main idea behind this incorporation is to lower the indiscriminate use of …
development. The main idea behind this incorporation is to lower the indiscriminate use of …
The development of ruthenium (II) polypyridyl complexes and conjugates for in vitro cellular and in vivo applications
Ruthenium (II)[Ru (II)] polypyridyl complexes have been the focus of intense investigations
since work began exploring their supramolecular interactions with DNA. In recent years …
since work began exploring their supramolecular interactions with DNA. In recent years …
C–H Functionalization of Pyridines via Oxazino Pyridine Intermediates: Switching to para-Selectivity under Acidic Conditions
para-Selective C–H functionalization of pyridines holds a significant value but remains
underdeveloped. Site-switchable C–H functionalization of pyridines under easily tunable …
underdeveloped. Site-switchable C–H functionalization of pyridines under easily tunable …
COVID-19 control by computer vision approaches: A survey
The COVID-19 pandemic has triggered an urgent call to contribute to the fight against an
immense threat to the human population. Computer Vision, as a subfield of artificial …
immense threat to the human population. Computer Vision, as a subfield of artificial …
Principles of QSAR models validation: internal and external
P Gramatica - QSAR & combinatorial science, 2007 - Wiley Online Library
The recent REACH Policy of the European Union has led to scientists and regulators to
focus their attention on establishing general validation principles for QSAR models in the …
focus their attention on establishing general validation principles for QSAR models in the …
[HTML][HTML] Human health risk assessment for contaminated sites: A retrospective review
Soil contamination is a serious global hazard as contaminants can migrate to the human
body through the soil, water, air, and food, threatening human health. Human Health Risk …
body through the soil, water, air, and food, threatening human health. Human Health Risk …
The history and development of quantitative structure-activity relationships (QSARs)
JC Dearden - Oncology: breakthroughs in research and practice, 2017 - igi-global.com
It is widely accepted that modern QSAR began in the early 1960s. However, as long ago as
1816 scientists were making predictions about physical and chemical properties. The first …
1816 scientists were making predictions about physical and chemical properties. The first …
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
Pharmacology over the past 100 years has had a rich tradition of scientists with the ability to
form qualitative or semi‐quantitative relations between molecular structure and activity in …
form qualitative or semi‐quantitative relations between molecular structure and activity in …
Flavonoid interactions during digestion, absorption, distribution and metabolism: A sequential structure–activity/property relationship-based approach in the study of …
GB Gonzales, G Smagghe, C Grootaert… - Drug metabolism …, 2015 - Taylor & Francis
Flavonoids are a group of polyphenols that provide health-promoting benefits upon
consumption. However, poor bioavailability has been a major hurdle in their use as drugs or …
consumption. However, poor bioavailability has been a major hurdle in their use as drugs or …
[HTML][HTML] On two novel parameters for validation of predictive QSAR models
P Pratim Roy, S Paul, I Mitra, K Roy - Molecules, 2009 - mdpi.com
Validation is a crucial aspect of quantitative structure–activity relationship (QSAR) modeling.
The present paper shows that traditionally used validation parameters (leave-one-out Q 2 for …
The present paper shows that traditionally used validation parameters (leave-one-out Q 2 for …