ChemCore: A Cheminformatics Toolkit for Rust
By Richard L. Apodaca 2020-06-01T16:00:00Z Chemistry imposes formidable requirements on application developers. One of the toughest is the manipulation of chemical structures as first-class data structures. General purpose programming language don't fulfil this requirement, so the responsibility falls to a peculiar layer of software. That layer goes by various names, but is usually called a "chemi
ChemCell - Easily Convert Names and CAS Numbers to Chemical Structures in Excel | Depth-First
ChemCell - Easily Convert Names and CAS Numbers to Chemical Structures in Excel By Richard L. Apodaca 2010-11-01T00:00:00.000Z Note: the same functionality described in this article is now available on Google Spreadsheets. Chemical databases often start as a list of names or Chemical Abstracts Service (CAS) Registry numbers contained in an Excel spreadsheet. But as more and more expectations get p
Thirty-Two Free Chemistry Databases | Depth-First
October 12, 2011: An updated version of this post is available at Sixty-Four Free Chemistry Databases. Chemical information is in the early stages of a revolution. Long dominated by a handful of established players, the field has rather suddenly opened up to a variety of innovative newcomers. The Internet now offers a diverse array of free online chemistry databases, twelve of which were summarize
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OxMol: Rust/Python Bindings for ChemCore
A Brief Introduction to Graph Convolutional Networks
Cheminformatics Data Pipelining with KNIME - Getting Started | Depth-First
About Richard L. Apodaca
Easily Convert IUPAC Nomenclature to SMILES, InChI, or Molfile with Rubidium | Depth-First
JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN | Depth-First
Decoding IUPAC Names With OPSIN | Depth-First