Publications & Blog
Entering the Era of Computationally Driven Drug Development
Increasing quality and standardization of experimental methods in preclinical testing have created valuable data sets that improve the efficiency and accuracy of preclinical prediction for both pharmacokinetics (PK) and PD. Models of quantitative structure–activity relationships (QSAR), physiologically based pharmacokinetics (PBPK), and PK/PD relationships have also improved efficiency. Founded on a core understanding of biochemistry and physiological interactions of xenobiotics, these in silico methods have the potential to increase the probability of compound success in clinical trials. Integrating machine-learning approaches and new data sets stands to make a fundamental impact on the speed and accuracy of predictions from R&D to approval.
Entering the Era of Computationally Driven Drug Development
Increasing quality and standardization of experimental methods in preclinical testing have created valuable data sets that improve the efficiency and accuracy of preclinical prediction for both pharmacokinetics (PK) and PD. Models of quantitative structure–activity relationships (QSAR), physiologically based pharmacokinetics (PBPK), and PK/PD relationships have also improved efficiency. Founded on a core understanding of biochemistry and physiological interactions of xenobiotics, these in silico methods have the potential to increase the probability of compound success in clinical trials. Integrating machine-learning approaches and new data sets stands to make a fundamental impact on the speed and accuracy of predictions from R&D to approval.
Genentech & VeriSIM discuss present and future scenarios for drug development in pharma
They explain how VeriSIM is changing drug discovery and development and why more and more drugs are being developed “in silico.” They also discuss how startups can work in harmony with big companies and how big pharma has become much…
Genentech & VeriSIM discuss present and future scenarios for drug development in pharma
They explain how VeriSIM is changing drug discovery and development and why more and more drugs are being developed “in silico.” They also discuss how startups can work in harmony with big companies and how big pharma has become much…
Getting life-saving therapeutics to patients faster
At the heart of the wave of new technologies to replace animals in research are the biotech companies utilizing modern scientific methods that are fundamentally human, and not derived from animals.
Getting life-saving therapeutics to patients faster
At the heart of the wave of new technologies to replace animals in research are the biotech companies utilizing modern scientific methods that are fundamentally human, and not derived from animals.
Safety in Numbers: Understanding the Effectiveness of Herbals Through Better Science
Owing to my Indian roots, herbal medicine has been a part of my everyday life in the form of ayurveda. As a child, I remember my mum making a concoction of holy-basil, mint and liquorice whenever I had a bad…
Safety in Numbers: Understanding the Effectiveness of Herbals Through Better Science
Owing to my Indian roots, herbal medicine has been a part of my everyday life in the form of ayurveda. As a child, I remember my mum making a concoction of holy-basil, mint and liquorice whenever I had a bad…
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Introducing AtlasGEN™ Novel Drug Designer
AtlasGEN Novel Drug Designer efficiently identifies new molecules based on favorable chemical properties and simultaneously evaluates them for clinical safety and effectiveness based on biology using VeriSIM Life’s groundbreaking Translational Index™ technology.
Iterative ranking of target engaging hits by their Translational Index values reduces the time and cost associated with other computational hit discovery approaches, while compressing the hit-to-lead refinement and optimization process by pre-validating hits for translatability. This unique integration dramatically reduces the number of compounds to evaluate in subsequent experimental research.
The ability to generate target engaging compound hits depends largely on the size of the molecular search library. The AtlasGEN search space is supported by more than 1 trillion compounds. Generative AI and deep learning techniques deliver unprecedented discovery capability.
AtlasGEN accurately predicts protein-lygand binding affinity by combining geometric conformer analysis with machine learning based on experimental data 72% more efficiently than molecular docking-based approaches.
