Molecular fields in quantitative structure–permeation relationships: the VolSurf approach

By G. Cruciani, P. Crivori, P. Carrupt, Bernard Testa. 2000

519 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/bd606b1744e18391600a8bd5fd3444403d0dcae2

How researchers see this paper

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

1. Hanne H. F. Refsgaard
2. Per Bruun Brockhoff
3. Line Katrine Harder Clemmensen
4. Søren H Welling
5. S. Buckley
6. L. Hovgaard

Citations in the corpus

• In silico modelling of permeation enhancement potency in Caco-2 monolayers based on molecular descriptors and random forest. (2015, methodology): “The subgroup of 3D descriptors ‘vsurf’ [21] plus the single 3D descriptor ‘dipole’ were calculated as they were relatively fast to compute and therefore suitable for S.”