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Chemistry
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Analytical, inorganic, organic, physical, nuclear, theoretical, and biochemistry.

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Predictive validity in drug discovery: what it is and how to improve it

CONTRIBUTED BY: Jack Scannell | 3 years ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , ...
1
REPLIES
5.4K
VIEWS

[WTC21] Chemical evolution with combinators: a quadranscentennial view

CONTRIBUTED BY: Robert Nachbar | 3 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Curated Data , Events & Media , ...
1
REPLIES
6.2K
VIEWS

Bootstrapping quantum mechanical systems

CONTRIBUTED BY: David Berenstein | 4 years ago BY: EDITORIAL BOARD
Staff Picks , Calculus , Chemistry , Dynamic Interactivity , ...
1
REPLIES
9.8K
VIEWS

Z-Matrix template-based substitution for enumeration of 3D molecules

CONTRIBUTED BY: Piyathida Tawornparcha | 4 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Curated Data , Geometry , ...
1
REPLIES
6.7K
VIEWS

[WSS20] Towards an Organic Chemical Reaction Pathways Calculator

CONTRIBUTED BY: Humood Alanzi | 5 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Graphs and Networks , Optimization , ...
1
REPLIES
7.3K
VIEWS

[WSS17] A study of climate change regional impact based on local CO2 levels

CONTRIBUTED BY: Mantas Pastolis | 8 years ago BY: Mantas Pastolis
Staff Picks , Chemistry , Earth Science , Environmental Science , ...
3
REPLIES
11.1K
VIEWS

Interactively query bond information

CONTRIBUTED BY: Jason Biggs | 8 years ago BY: Marie Sylla
Staff Picks , Chemistry , Curated Data , Data Science , ...
5
REPLIES
16.4K
VIEWS

Fitting system of Differential equations to a dataset

QUESTION FROM: A Magyar | 9 years ago BY: kirt robinson
Calculus , Chemistry , Mathematica
5
REPLIES
29.1K
VIEWS

Package for organic molecules with multiple bonds

CONTRIBUTED BY: Bianca Eifert | 9 years ago
Chemistry , Mathematica Add-Ons , Packages , Wolfram Language
0
REPLIES
7K
VIEWS

Solving a system of kinetic equations in the steady state

QUESTION FROM: Josh Wofford | 11 years ago BY: Josh Wofford
Algebra , Calculus , Chemistry , Equation Solving , Mathematica , ...
11
REPLIES
13.1K
VIEWS

Export as 3D file type STL for 3D printing

QUESTION FROM: Jonathan Chertok | 12 years ago BY: C ormullion
3D Printing , Chemistry , Education , Mathematica , Mathematics , ...
3
REPLIES
30K
VIEWS

[WSRP25] Identifying reactive functional groups

CONTRIBUTED BY: Vikrant Chintanaboina | 2 months ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , Curated Data , ...
1
REPLIES
1.4K
VIEWS

[WSRP25] Exploring small molecule binding with interleukin proteins

CONTRIBUTED BY: Max Wang | 2 months ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , ...
1
REPLIES
1.6K
VIEWS

[WELP24] Analyzing and visualizing the human protein-protein interaction network

CONTRIBUTED BY: Wolfram Education Programs | 7 months ago
Staff Picks , Biological Sciences , Chemistry , Data Science , ...
0
REPLIES
1.4K
VIEWS

[WSRP24] Building functions to classify chemical reaction properties

CONTRIBUTED BY: Sarah Ku | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Data Science , Dynamic Interactivity , ...
2
REPLIES
5.9K
VIEWS

Machine learning to identify structural motifs in asphaltenes through ResNet-50

CONTRIBUTED BY: Arunkumar Sharma | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Artificial Intelligence , Chemistry , Data Science , ...
1
REPLIES
4.5K
VIEWS

The KOSMA-τ PDR Model--I. Recent updates to the numerical model of photo-dissociated regions

CONTRIBUTED BY: Markus Roellig | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Astronomy , Chemistry , Graphics and Visualization , ...
1
REPLIES
2.3K
VIEWS

Cosmic Hydrogen and ice loss lines

CONTRIBUTED BY: Li Zeng | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Astronomy , Chemistry , Dynamic Interactivity , ...
1
REPLIES
3.5K
VIEWS

Consistent Force Field: alkylbenzenes, alkanes, alkenes. Conformational analysis of molecular gears

CONTRIBUTED BY: Robert Nachbar | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Graphics and Visualization , ...
1
REPLIES
3.6K
VIEWS

[WELP23] Enhancing Photosynthesis: Computational Visualizations Through Micro and Macro Scales

CONTRIBUTED BY: Wolfram Education Programs | 1 year ago
Staff Picks , Biological Sciences , Chemistry , Curated Data , ...
0
REPLIES
2K
VIEWS

The periodic table - powered by Wolfram Language

CONTRIBUTED BY: BoB LeSuer | 2 years ago BY: matthew rapley
Staff Picks , Chemistry , Connected Devices , Dynamic Interactivity , ...
2
REPLIES
33.5K
VIEWS

Workflows with LLM functions (in WL)

CONTRIBUTED BY: Anton Antonov | 2 years ago BY: Anton Antonov
Staff Picks , Artificial Intelligence , Chemistry , ...
4
REPLIES
7.9K
VIEWS

Homotopy Continuation Method to Find All Root of a Polynomial Equation

CONTRIBUTED BY: Housam Binous | 2 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Engineering , Equation Solving , ...
1
REPLIES
4.8K
VIEWS

Analyzing residue-residue interactions in proteins

CONTRIBUTED BY: Soutick Saha | 3 years ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , Data Science , ...
3
REPLIES
7.3K
VIEWS

Building a molecule as union of two existing molecules

QUESTION FROM: Lawrence Winkler | 3 years ago BY: Lawrence Winkler
Chemistry , Wolfram Language
2
REPLIES
5.9K
VIEWS

[WSS18] Modeling Protein Structure of Viral Capsids

CONTRIBUTED BY: Jihyeon Je | 4 years ago BY: Jihyeon Je
Staff Picks , Biological Sciences , Chemical Engineering , ...
3
REPLIES
13.8K
VIEWS

A geospatial data analysis of alternative fuel industry

CONTRIBUTED BY: Shenghui Yang | 4 years ago BY: EDITORIAL BOARD
Staff Picks , Business Analytics , Chemistry , Curated Data , ...
1
REPLIES
9.2K
VIEWS

[Notebook] Geometrical analysis of genome for COVID-19 vs SARS-like viruses

CONTRIBUTED BY: Mohammad Bahrami | 5 years ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , Data Science , ...
1
REPLIES
13.7K
VIEWS

Atomic Orbitals (almost) without Quantum Mechanics

CONTRIBUTED BY: Hans Dolhaine | 6 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Graphics and Visualization , Mathematics , ...
1
REPLIES
14.3K
VIEWS

[WSC19] Visualizing Molecular Orbitals for One Electron Diatomic Molecules

CONTRIBUTED BY: Mohammad Alhudaithi | 6 years ago BY: Simeon Buttery
Chemistry , Dynamic Interactivity , Graphics and Visualization , ...
1
REPLIES
15.1K
VIEWS

Get numerical solution of PDE for diffusion at high diffusion rates?

QUESTION FROM: Rutton Patel | 6 years ago BY: Rutton Patel
Calculus , Chemistry , Equation Solving , Mathematics , Modeling , ...
23
REPLIES
17.8K
VIEWS

Distance between 2 flat molecules

QUESTION FROM: A Y | 11 years ago BY: Mohammad Khan
Chemistry , Geometry , Mathematica , Mathematics , Physics , ...
13
REPLIES
22.2K
VIEWS

Yet another Wolfram/RPi spectrometer - this time with RaspiCam

CONTRIBUTED BY: BoB LeSuer | 11 years ago BY: Jose Calderon
Chemistry , External Programs and Systems , Raspberry Pi , ...
4
REPLIES
28.3K
VIEWS

How to choose starting point for FindMinimum

QUESTION FROM: Cory Leahy | 12 years ago BY: Cory Leahy
Chemistry , Mathematica , Mathematics , Physics
5
REPLIES
11.6K
VIEWS

Data-based tubular heat exchanger modeling: ML & symbolic ODEs for counter/co-current flows

CONTRIBUTED BY: Andrew Biaglow | 6 months ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Data Science , Graphics and Visualization , ...
1
REPLIES
1.1K
VIEWS

Wave-particle duality: Observation methods reveal quantum object wave-like & particle-like behavior

CONTRIBUTED BY: Mohammad Bahrami | 7 months ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Graphics and Visualization , ...
2
REPLIES
3.6K
VIEWS

Analyzing and visualizing the human protein atlas data in Wolfram Language

CONTRIBUTED BY: Soutick Saha | 9 months ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , Data Science , ...
1
REPLIES
8.6K
VIEWS

Interfacing with SmilesDB in Wolfram

CONTRIBUTED BY: William Choi-Kim | 10 months ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Data Science , Graphics and Visualization , ...
1
REPLIES
1.8K
VIEWS

Approximation of pH and associated error in monoprotic acid and base solutions

CONTRIBUTED BY: Sopanant Datta | 10 months ago BY: Taweetham Limpanuparb
Staff Picks , Chemistry , Demonstrations , Dynamic Interactivity , ...
2
REPLIES
4.5K
VIEWS

Consistent Force Field: alkylbenzenes, alkanes, alkenes. Energy, geometry optimization, vibrations.

CONTRIBUTED BY: Robert Nachbar | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Graphics and Visualization , ...
1
REPLIES
4.9K
VIEWS

The glycolytic oscillator mechanism

CONTRIBUTED BY: Housam Binous | 1 year ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Calculus , Chemistry , ...
1
REPLIES
3.8K
VIEWS

[WELP23] Cellular Automata Modeling of Oil Spills

CONTRIBUTED BY: Wolfram Education Programs | 1 year ago
Staff Picks , Chemistry , Computational Systems , ...
0
REPLIES
2.7K
VIEWS

[WELP23] Implementing Chemical Kinetics Functions to the Wolfram Language

CONTRIBUTED BY: Wolfram Education Programs | 1 year ago
Staff Picks , Chemistry , Data Science , Graphics and Visualization , ...
0
REPLIES
3K
VIEWS

Machine learning regression analysis for hypothesis generation in physical chemistry lab

CONTRIBUTED BY: Joshua Schrier | 2 years ago BY: EDITORIAL BOARD
Staff Picks , Artificial Intelligence , Chemistry , Data Science , ...
1
REPLIES
4.2K
VIEWS

What is new in the Wolfram ProteinVisualization paclet!

CONTRIBUTED BY: Soutick Saha | 2 years ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , ...
1
REPLIES
4.4K
VIEWS

Visualization of a Möbius carbon nanobelt and normal vectors on all benzene rings

CONTRIBUTED BY: Armin Vollmer | 2 years ago BY: EDITORIAL BOARD
Staff Picks , Chemistry , Curated Data , Graphics and Visualization , ...
1
REPLIES
5.5K
VIEWS

[WSRP23] Build a function for biochemical enzyme kinetics

CONTRIBUTED BY: Srijith Rangan | 2 years ago BY: Max Grunwald
Biological Sciences , Chemistry , Dynamic Interactivity , ...
1
REPLIES
7.9K
VIEWS

Analyzing amino acid abundance in proteins

CONTRIBUTED BY: Soutick Saha | 3 years ago BY: EDITORIAL BOARD
Staff Picks , Biological Sciences , Chemistry , ...
1
REPLIES
6.1K
VIEWS

A short study of hexose sugars

CONTRIBUTED BY: J. M. | 3 years ago
Chemistry , Curated Data , Graphics and Visualization , ...
0
REPLIES
2.4K
VIEWS

X-ray photoelectron spectroscopy (XPS) data quantification

CONTRIBUTED BY: Qiankun Wang | 3 years ago BY: Qiankun Wang
Staff Picks , Chemistry , Interface Construction , ...
2
REPLIES
5K
VIEWS
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