The significance of artificial intelligence in drug delivery system design
Over the last decade, increasing interest has been attracted towards the application of
artificial intelligence (AI) technology for analyzing and interpreting the biological or genetic …
artificial intelligence (AI) technology for analyzing and interpreting the biological or genetic …
Nexus between in silico and in vivo models to enhance clinical translation of nanomedicine
In cancer, one of the main barriers to effective chemotherapy is inefficient drug delivery. The
delivery of drugs to solid tumors involves various biochemical, biophysical, and mechanical …
delivery of drugs to solid tumors involves various biochemical, biophysical, and mechanical …
An architecture of deep learning in QSPR modeling for the prediction of critical properties using molecular signatures
Deep learning rapidly promotes many fields with successful stories in natural language
processing. An architecture of deep neural network (DNN) combining tree‐structured long …
processing. An architecture of deep neural network (DNN) combining tree‐structured long …
The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies
We present a new descriptor named signature based on extended valence sequence. The
signature of an atom is a canonical representation of the atom's environment up to a …
signature of an atom is a canonical representation of the atom's environment up to a …
Prediction of physicochemical properties based on neural network modelling
J Taskinen, J Yliruusi - Advanced drug delivery reviews, 2003 - Elsevier
The literature describing neural network modelling to predict physicochemical properties of
organic compounds from the molecular structure is reviewed from the perspective of …
organic compounds from the molecular structure is reviewed from the perspective of …
Machine learning-quantitative structure property relationship (ML-QSPR) method for fuel physicochemical properties prediction of multiple fuel types
R Li, JM Herreros, A Tsolakis, W Yang - Fuel, 2021 - Elsevier
A machine learning-quantitative structure property relationship (ML-QSPR) method is
proposed to predict 15 fuel physicochemical properties of 23 fuel types. QSPR-UOB 3.0 …
proposed to predict 15 fuel physicochemical properties of 23 fuel types. QSPR-UOB 3.0 …
Quantitative structure‐property relationships for prediction of boiling point, vapor pressure, and melting point
JC Dearden - Environmental Toxicology and Chemistry: An …, 2003 - Wiley Online Library
Boiling point, vapor pressure, and melting point are important physicochemical properties in
the modeling of the distribution and fate of chemicals in the environment. However, such …
the modeling of the distribution and fate of chemicals in the environment. However, such …
Developing a methodology for an inverse quantitative structure-activity relationship using the signature molecular descriptor
DP Visco Jr, RS Pophale, MD Rintoul… - Journal of Molecular …, 2002 - Elsevier
The concept of signature as a molecular descriptor is introduced and various topological
indices used in quantitative structure-activity relationships (QSARs) are expressed as …
indices used in quantitative structure-activity relationships (QSARs) are expressed as …
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules
We test a new algorithm for the search of an optimal subset of molecular descriptors from a
large set of them. As a practical realistic application we predict the normal boiling points of …
large set of them. As a practical realistic application we predict the normal boiling points of …
Artificial neural network in drug delivery and pharmaceutical research
V Sutariya, A Groshev, P Sadana… - The Open …, 2013 - benthamopen.com
Artificial neural networks (ANNs) technology models the pattern recognition capabilities of
the neural networks of the brain. Similarly to a single neuron in the brain, artificial neuron …
the neural networks of the brain. Similarly to a single neuron in the brain, artificial neuron …