Jean‐Loup Faulon

The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies

We present a new descriptor named signature based on extended valence sequence. The signature of an atom is a canonical representation of the atom's environment up to a predefin...

The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences

We present a new algorithm that enumerates molecular structures matching a predefined extended valence sequence or signature. The algorithm can construct molecular structures co...

Developing a methodology for an inverse quantitative structure-activity relationship using the signature molecular descriptor

Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large MoleculesJean-Loup FaulonCite this: ...