A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules

By P. Duchowicz, E. Castro, F. Fernández, M. P. González. 2005

109 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Geometry and Topology, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/12a5a7a4e0287a3c86e1188907ed65b9908693c6

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Alexander D. MacKerell
2. A. Coop
3. Chayan Acharya
4. J. Polli

In Materials Chemistry

1. Alexander D. MacKerell
2. A. Coop
3. Chayan Acharya
4. J. Polli
5. Justin A. Lemkul

Citations in the corpus

• Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach. (2011, methodology): “Once the molecules are selected for the study they are modeled in silico and energy minimized using molecular mechanics or quantum mechanical methods [21,30-33].”