How to correctly develop q-RASAR models for predictive cheminformatics
A Banerjee, K Roy - Expert Opinion on Drug Discovery, 2024 - Taylor & Francis
One of the earliest and simplest forms of in silico predictive cheminformatics is the
Quantitative Structure-Activity Relationship (QSAR). This algorithm aims to develop a …
Quantitative Structure-Activity Relationship (QSAR). This algorithm aims to develop a …
The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions
Direct or indirect consumption of pesticides and their related products by humans and other
living organisms without safe dosing may pose a health risk. The risk may arise after a …
living organisms without safe dosing may pose a health risk. The risk may arise after a …
Intelligent Consensus Predictions of the Retention Index of Flavor and Fragrance Compounds Using 2D Descriptors
The demand for novel flavors and fragrance (F&F) compounds has increased, highlighting
the need for a systematic design approach. Currently, the F&F industry relies heavily on …
the need for a systematic design approach. Currently, the F&F industry relies heavily on …