Optimizing the performance of in silico ADMET general models according to local requirements: MARS approach. solubility estimations as case study.

Oyarzabal, Julen

Optimizing the performance of in silico ADMET general models according to local requirements: MARS approach. solubility estimations as case study. [electronic resource] - Journal of chemical information and modeling Dec 2009 - 2837-50 p. digital

Publication Type: Journal Article

1549-960X

10.1021/ci900308u doi


Absorption
Computational Biology--methods
Drug Discovery
High-Throughput Screening Assays
Monte Carlo Method
Reproducibility of Results
Solubility