Prediction of drug absorption using multivariate statistics.

By W. Egan, Kenneth M. Merz Jr., J. Baldwin. Journal of Medicinal Chemistry, 2000

1,750 citations recorded by the source corpus.

Subfields: Analytical Chemistry, Computational Theory and Mathematics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/83f4cee2fd8537fe9708c775e46269d0bea7bffa

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. Chao Huang
2. Jürgen Bajorath
3. Yang Ling
4. Yonghua Wang
5. Wuxia Zhang
6. Michael J. Waring
7. Xue Xu
8. Yan Li

In Spectroscopy

1. Jürgen Bajorath
2. Michael J. Waring

Citations in the corpus

• A Novel Chemometric Method for the Prediction of Human Oral Bioavailability (2012, background): “It has been reported that 95% of lead compounds fail in the developmental stages, and 50% of these failures are induced by unfavorable absorption, distribution, metabolism, and excretion (ADME) properties [2,3].”
• Integration of virtual and high-throughput screening (2002, background): “7 ) is sufficient to predict absorption characteristics of various data sets with ∼70–90% accurac”
• The influence of lipophilicity in drug discovery and design (2012, neutral): “9 and an optimal PSA of < 132 Å(2) [65].”
• Lipophilicity in drug discovery (2010, background): “Egan has developed a computational model that discriminates high, medium and low levels of absorption [34].”