The Trouble with H ückel
Postmortem of a head-on collision between computational chemistry and cheminformatics. (Source: Depth-First)
Source: Depth-First - July 14, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Writing Aromatic SMILES
What seems like a simple process oozes complexity below the surface. (Source: Depth-First)
Source: Depth-First - June 30, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Delocalization-Induced Molecular Equality
Exploring the limits of molecular representation and their practical consequences. (Source: Depth-First)
Source: Depth-First - June 17, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Molecular Assembly Index
Searching for life with a biosignature based on graph theory. (Source: Depth-First)
Source: Depth-First - June 4, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Standard InChI
Expectation meets reality in this benchmarking puzzle. (Source: Depth-First)
Source: Depth-First - May 19, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Of Zero-Order Bonds and Bonding Systems
In search of a backward-compatible upgrade path to multi-atom bonding. (Source: Depth-First)
Source: Depth-First - May 5, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
InChI Syntax
Understanding the internal structure of InChI identifiers. (Source: Depth-First)
Source: Depth-First - April 21, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
