How AI addresses common pain points experienced in the formulation stage of the drug development process.
Drug formulation is one of the most critical parts of pharmaceutical development, helping to determine the very best way to deliver an active ingredient or molecule to patients. The drug formulation process seeks to determine the right combination of inactive substances and active pharmaceutical ingredients (API), evaluate a drug’s scalability for manufacturing, establish the most effective protocols for treatment, and identify the right form for the drug itself (e.g. tablet, capsule, oral suspension, injection, etc). Only then will a patient-ready end product be achieved.
Finding the ideal drug formulation is typically a complex, slow, laborious and expensive part of early phase R&D. A variety of pain points combine to create considerable challenges for pharma researchers, who have traditionally lacked an integrated approach for de-risking their early R&D decisions in bringing a new drug to market.
Today, there’s good news for pharma researchers embarking on the drug formulation process. Innovations in AI-driven technologies have allowed for the streamlining and de-risking of many aspects of early-stage drug development, including the drug formulation process.
VeriSIM Life (VSL)’s drug decision engine, BIOiSIM®, is a computational platform deploying advanced artificial intelligence and machine learning, a proprietary big data foundation, and state-of-the-art mechanistic models to discover novel therapies from existing molecules.
BIOiSIM, and VSL’s associated services, can be used to problem-solve some of the most significant challenges facing early-stage drug R&D – meeting development timelines faster, at lower costs, and with better results than traditional approaches.
The BIOiSIM AI-driven technology framework supports the drug formulation process by addressing key pain points in the journey:
which advances only the most promising drug candidates through R&D to investigational new drug (IND) application, offers actionable insights of unprecedented value to the drug development industry.
Combining thousands of validation data sets, multi-compartmental models, and its integrated AI/ML engine, BIOiSIM achieves superior physiological and biological relevance within three classes of therapeutics: small molecules, large molecules, and re-engineered viruses/gene therapy.
1 trillion potential compounds search space for de novo synthesis and structural screening
Physiological data from 7 different animal species, plus humans
Support for genomics data integration
More than 3,000,000 real compounds including proprietary data from multiple partnerships
Proprietary experimental data from scientific literature and other sources
Validation by real-world observed data
Using Molecular Simulation and Statistical Learning Methods in Low-Solubility Drug Formulation Design
Predicting the API solubility with various carriers in the API–carrier mixture and the principal API–carrier non-bonding interactions are critical factors for rational drug development and formulation decisions. However, experimental determination of these interactions, including solubility and dissolution mechanisms, are time-consuming, costly and reliant on trial and error.
To streamline the formulation design process, molecular modeling has been applied to simulate amorphous solid dispersions (ASD) properties and mechanisms in order to predict the API solubility of various carriers.
In silico research has demonstrated the viability of rational formulation design of low-solubility drugs. Pertinent theoretical groundwork, including modeling applications and limitations, have shown the prospective clinical benefit of accelerated ASD formulation. Read the full article.
ML methods have the potential to provide the next transformative leap forward toward rapid polymer screening and formulation design.
Now you can accelerate the discovery of new therapies based on existing compounds with VeriSIM Life’s BIOiSIM® computational platform – purpose-built to decode chemistry and biology at scale. With the industry’s most generalistic AI platform, your innovation is no longer limited to experimental constraints.
Contact us today to schedule a demonstration of BIOiSIM®