Algorithms

Foundational paper establishing the energy landscape theory, folding funnels, and the principle of minimal frustration.

A 1990 methodological paper presenting an early OCR system for digitizing chemical structure images into connectivity …

Seminal 1994 paper introducing MDNs to model arbitrary conditional probability distributions using neural networks.

A 1993 prototype system for converting scanned chemical diagrams into connection tables using vectorization and …

A 5-module system converting raster images of chemical structures into machine-readable SDF files with custom …

Hyperbolic Algorithm adds second-order derivatives to Langevin dynamics, reducing systematic errors to O(ε²) for lattice …

A hierarchical probabilistic model combining roll call votes, bill text, and legislative speeches to analyze political …

Rule-based system for optical chemical structure recognition using vectorization and geometric analysis, achieving 95% …

Fujiyoshi et al.'s segment-based approach for recognizing chemical structures in challenging Japanese patent images with …

A perspective paper defining the Grand Challenge of protein folding: distinguishing kinetic pathways from thermodynamic …

Henze and Blair's 1931 JACS paper deriving exact recursive formulas for counting constitutional alkane isomers.

Compare inverse transform sampling and von Neumann's rejection method for exponential random numbers with Python …