Mechanistic Modeling of Cyclosporine A-induced Acute Kidney Injury with RENAsym®

Mechanistic Modeling of Cyclosporine A-induced Acute Kidney Injury with RENAsym®

Conference: ACoP
Software: RENAsym®

The use of Cyclosporine A (CsA) can cause tubular damage leading to a decline in renal function as determined by decreases in serum creatinine levels...

Modeling Insights on Species Differences in Response to CD8+ T cell-mediated Liver Injury

Modeling Insights on Species Differences in Response to CD8+ T cell-mediated Liver Injury

Conference: ACoP
Software: DILIsym®

Idiosyncratic drug-induced liver injury (iDILI), which is typically rare and often severe, has led to black box warnings or drug withdrawals from the market...

Mathematically modeling CD8+ T cell-mediated drug induced liver injury (DILI): from ovalbumin to amodiaquine in mice

Mathematically modeling CD8+ T cell-mediated drug induced liver injury (DILI): from ovalbumin to amodiaquine in mice

Conference: ACoP
Software: DILIsym®

Idiosyncratic drug-induced liver injury (iDILI) is poorlynunderstood, but there is evidence to support that some iDILI events may be immune-mediated.

Novel Synthesis and Antiviral Evaluation of New Benzothiazole-Bearing N-Sulfonamide 2-Pyridone Derivatives as USP7 Enzyme Inhibitors

Novel Synthesis and Antiviral Evaluation of New Benzothiazole-Bearing N-Sulfonamide 2-Pyridone Derivatives as USP7 Enzyme Inhibitors

Publication: ACS Omega
Software: ADMET Predictor®

In this article, a series of benzothiazole-bearing N-sulfonamide 2-pyridone derivatives were synthesized via the reaction of benzothiazole...

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

Publication: Sci Data
Software: ADMET Predictor®

We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI).

Artificial intelligence and automation in computer aided synthesis planning

Artificial intelligence and automation in computer aided synthesis planning

Publication: Reaction Chemistry & Engineering
Software: ADMET Predictor®

In this perspective we deal with questions pertaining to the development of synthesis planning technologies over the course of recent years.