In Silico Metabolite Prediction Using Artificial Neural Network Ensembles

In Silico Metabolite Prediction Using Artificial Neural Network Ensembles

Conference: CHI
Division: PBPK

Drug metabolism plays a crucial role in understanding bioavailability and drug-drug interactions, as well as in the design of prodrugs and in avoiding undesirable toxic metabolites.

Circadian Variations in Exsorptive Transport: In Situ Intestinal Perfusion Data and In Vivo Relevance

Circadian Variations in Exsorptive Transport: In Situ Intestinal Perfusion Data and In Vivo Relevance

Publication: Int J Chronobiol
Software: GastroPlus®

The circadian timing system (CTS) governs the 24-h rhythm of the organism and, hence, also main pathways responsible for drug pharmacokinetics.

MAA Found Math

MAA Found Math

Each week, the Mathematical Association of America website posts a new math-related photo that was submitted by an MAA member. The photo reposted here is a decorative Venn Diagram on a ceiling light that was featured on May 31, 2011. The photographer was Joy Hsiao of Brooklyn Technical High School. Visit the MAA Found Math gallery to view more of these fascinating photos.

Modeling of Furosemide in DILIsym™ Model Reveals Testable Hypotheses about Hepatotoxicity Mechanisms

Modeling of Furosemide in DILIsym™ Model Reveals Testable Hypotheses about Hepatotoxicity Mechanisms

Conference: SOT
Software: DILIsym®

A predictive, quantitative, mathematical model (DILIsym™) is under development as a public-private initiative based on the physiological processes involved in drug-induced liver injury. The model includes…

In Silico Modeling for the Nonlinear Absorption Kinetics of UK-343,664: A P-gp and CYP3A4 Substrate

In Silico Modeling for the Nonlinear Absorption Kinetics of UK-343,664: A P-gp and CYP3A4 Substrate

Publication: Mol Pharm
Software: GastroPlus®
Division: PBPK

The aim of this work was to extrapolate in vitro and preclinical animal data to simulate the pharmacokinetic parameters of UK-343,664, a P-glycoprotein (P-gp) and CYP3A4 substrate, in human.

Provisional Biopharmaceutical Classification of Some Common Herbs Used in Western Medicine

Provisional Biopharmaceutical Classification of Some Common Herbs Used in Western Medicine

Publication: Mol Pharm
Software: ADMET Predictor®
Division: PBPK

The aim of this study was to classify some markers of common herbs used in Western medicine according to the Biopharmaceutical Classification System (BCS).

Thinking about thinking.

Thinking about thinking.

In a podcast called Thinking About Thinking, three eminent scientists discuss the ways humans think. All three have interesting and useful insights. I recommend this podcast to anyone responsible for managing Pharma R&D teams or for anyone looking for new ways to improve team performance, especially in knowledge-intensive research efforts.

George Steiner, a certain idea of knowledge.

George Steiner, a certain idea of knowledge.

George Steiner:

Our world is shrinking. Science is becoming inaccessible to us. Who can understand the latest innovations in genetics, astrophysics and biology? Who can explain them to the profane? Knowledge no longer communicates; writers and philosophers in our day are incapable of enabling us to understand science. At the same time, the scope of imagination in science is dazzling. How can we claim to speak of human consciousness if we overlook what is most daring and imaginative? I am concerned by what it means to be literate today. Is it possible to be literate if you do not understand non-linear equations?