Data-Driven Drug Designing: Predictive Modelling to Propel the Market

Analysis of the current scenario in the drug designing and development has revealed that the rise in the adoption of advanced technologies in drug designing tools and Integration of bioinformatics and Computer- Aided Drug Design (CADD) has significantly transformed the way researchers and pharmaceutical companies are approaching drug innovations. This demand has made drug designing tools- using computational chemistry an integral part of every research organization- to discover, enhance, or study drugs and related biologically active molecules. According to a recent study, owing to the increasing requirement of intelligent enterprise technologies in the drug designing process to cut down the cost and time required to develop a drug will significantly push the global drug designing tools market registering a staggering CAGR of 11.2 percent.

However, many large pharmaceutical companies, especially those playing an active role in new drug formulations and innovations, still do not seem to take full advantage of the data they derive from the research and analysis. And, a lot of it as to do with industry rigidity and culture. Additionally, traditional drug designing, discovery and development approaches oversimplifies the drug innovation process by simply focusing on a ‘1-to-1 substance–target relationship’. This could be reversed by adopting new technologies such as predictive analytics and artificial intelligence, which can further assist research scientists to improve the process of drug designing and discovery. Predictive analytics helps in inspecting large data sets and uncover patterns, while artificial intelligence can identify and screen potential drug candidates. These technologies bring tremendous opportunity for pharmaceutical vendors in the drug designing tools market. Other than just relying on computational tools, high-quality and carefully curated data can be used by pharmaceutical companies to “create predictive models that select compounds likely to have the desired effect on the phenotype.”

Predictive Modelling: Tomorrow’s Tool for More Complex and Diverse Drug Innovations

According to industry experts, the process of drug designing requires vendors to deal with large amount of data sets of chemical and molecular compounds. The data sets are highly complex and consumes a lot of time to process to find patterns. Thus, vendors in the market can leverage predictive analytics and data modelling. The benefits here are clear- to improve the process of drug designing by analyzing and managing the data efficiently, thereby proving benefits such as data-driven decisions and effectual integration of data that includes patient’s genotypes, disease state, reaction to therapy, and so on.

Broad and continued application of predictive modelling in the drug designing tools market will definitely drive researchers in leveraging data from other predictive technologies to address more complex and diverse drug formulations. Not only will predictive modelling help in efficient drug formulation, it will also eliminate a lot of misinformation derived from animal studies, phase I and, phase II of clinical trials and push drug innovations straight to phase III and IV.

Combination is the Key: Creating from Old and New

Beyond just utilizing available data that is derived from research and analysis, finding new ways to combine data from other new and existing databases will help in drug designing and discovery- making them highly efficient and relevant for the field. Additionally, at times drug development might not even require new tools and technology but an efficient integration of methods and approaches that already exist. This approach will not just save capital investment and time, but will also exhibit which tools would work best to derive specific results.

Ultimately, to derive specific predictions, pharmaceutical companies would want to combine a wide range of data, overall knowledge with tools and intelligent data –reading models- making future drug designing, discovery and economical more effective, and safer.

Market insights included in the article are sourced from Future Market Insight’s recently published report. Detailed excerpts of the report are available at