The present study is to evaluate and compare the prediction and simulating efficiencies of response surface methodology (RSM) and artificial neural network (ANN) based models on fatty acid methyl esters (FAME) yield achieved from muskmelon oil (MMO) ...
Enzyme catalysis is one of the most essential and striking processes among of all the complex processes that have evolved in living organisms. Enzymes are biological catalysts, which play a significant role in industrial applications as well as in me...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Sep 22, 2014
In the present study, zinc sulfide nanoparticle loaded on activated carbon (ZnS-NP-AC) simply was synthesized in the presence of ultrasound and characterized using different techniques such as SEM and BET analysis. Then, this material was used for br...
Chlorophyll-a (Chl-a) is a direct indicator used to evaluate the ecological state of a waterbody, such as algal blooms that degrade the water quality in lakes, reservoirs and estuaries. In this study, artificial neural network (ANN) and support vecto...
Pharmaceutical development and technology
Apr 24, 2014
Novel granulated pellets technique was adopted to prepare granulated pellet-containing tablets (GPCT). GPCT and traditional pellet-containing tablets (PCT) were prepared according to 29 formulations devised by the Design Expert 7.0, with doxycycline ...
The main target of retrosynthesis is to recursively decompose desired molecules into available building blocks. Existing template-based retrosynthesis methods follow a template selection stereotype and suffer from limited training templates, which pr...
Deep learning techniques have significantly advanced the field of protein structure prediction. LOMETS3 (https://zhanglab.ccmb.med.umich.edu/LOMETS/) is a new generation meta-server approach to template-based protein structure prediction and function...
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Jun 1, 2022
The success of machine learning (ML) in materials property prediction depends heavily on how the materials are represented for learning. Two dominant families of material descriptors exist, one that encodes crystal structure in the representation and...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2022
Artificial intelligence (AI) offers new possibilities for hit and lead finding in medicinal chemistry. Several instances of AI have been used for prospective de novo drug design. Among these, chemical language models have been shown to perform well i...
International journal of molecular sciences
Dec 17, 2021
Protein solubility is an important thermodynamic parameter that is critical for the characterization of a protein's function, and a key determinant for the production yield of a protein in both the research setting and within industrial (e.g., pharma...