Most online calculators reduce the user experience to returning results in response to some input data. As a tools developer, … More
Category: Chemometrics
CUNY Computational Chemistry Tools
If you are a chemist, PhD, or student looking for tools in said discipline, you may want to check the … More
Bond Order Calculator Tool
This bond order tool calculates bond orders of diatomic species with up to 20 electrons, without using Molecular Orbital Theory! … More
Hybrid Similarity Search (HSS) Algorithm for Chemistry Searching
Hybrid Similarity Search (HSS) Algorithm for Chemistry Searching for Fentanyl-related compounds and other drugs. Free version: https://www.mswil.com/images/NIST/NIST17/GCMS-Hybrid-Search-AnalChem-2017.pdf This is a … More
C.R. Rao: A Giant & Living Legend of Statistics Among Us
Curating collections requires going to original sources which is gratifying. As part of the effort of building a miner on … More
Chemistry at the Intersection of Similarity-Based Classification
I got a copy of this nice research work written as a book chapter, Building Classes of Similar Chemical Elements … More
Chemometrics Miner
Chemometrics, our newest miner. http://www.minerazzi.com/chemometrics Find tools, techniques, and tutorials for extracting information from chemical systems. Recrawl search results … More