Unsupervised feature selection using clustering ensembles and population based incremental learning algorithm

Conformational searching using a populat

Conformational searching using a population-based incremental learning algorithm

✍ Stephen M. Long; Tran T. Tran; Peter Adams; Paul Darwen; Mark L. Smythe 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 262 KB

A new population-based incremental learning algorithm for conformational searching of molecules is presented. This algorithm is particularly effective at determining, by relatively small number of energy minimizations, global energy minima of large flexible molecules. The algorithm is also able to f