A Novel Chemometric Method for the Prediction of Human Oral Bioavailability

Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius)

(2011) Xue Xu et al.   ECOTOXICOLOGY

Quantitative structure-property relationship for surface tension of some common alcohols

(2011) Aboozar Khajeh et al.   JOURNAL OF CHEMOMETRICS

ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints

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Studies of Benzothiadiazine Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics

(2010) X. Wang et al.   CURRENT MEDICINAL CHEMISTRY

Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability

(2009) Tingjun Hou et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

The role of ABC transporters in drug absorption, distribution, metabolism, excretion and toxicity (ADME–Tox)

(2008) Gergely Szakács et al.   DRUG DISCOVERY TODAY

Explorations into modeling human oral bioavailability

(2008) Zhi Wang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structure – ADME relationship: still a long way to go?

(2008) Tingjun Hou et al.   Expert Opinion on Drug Metabolism & Toxicology

Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA–CG–SVM method

(2008) Chang-Ying Ma et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Prediction of binding affinity for estrogen receptor α modulators using statistical learning approaches

(2008) Yonghua Wang et al.   MOLECULAR DIVERSITY

Augmented Three-mode MIA-QSAR Modeling for a Series of Anti-HIV-1 Compounds

(2008) Mohammad Goodarzi et al.   Quantitative structure-activity relationships & combinatorial science