Using a convolution neural network, these authors show machine learning can clinically diagnose breast cancer with high accuracy.
Read More...Predicting the Instance of Breast Cancer within Patients using a Convolutional Neural Network
Using a convolution neural network, these authors show machine learning can clinically diagnose breast cancer with high accuracy.
Read More...Building deep neural networks to detect candy from photos and estimate nutrient portfolio
The authors use pictures of candy wrappers and neural networks to improve nutritional accuracy of diet-tracking apps.
Read More...Monitoring the formation of polyurethane foams with an infrared camera: Classroom activity
In this study, the authors utilize an infrared camera to visualize and investigate the exothermic reaction of polyurethane foam, which has many everyday uses including automotive seats, bedding, and insulation.
Read More...Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets
The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.
Read More...Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.
Read More...Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ETFAA
In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
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