In silico modelling refers to the use of computer models to simulate biological processes. This can include modelling how a drug interacts with the body.

In silico models have a wide range of potential applications, ranging from the early discovery of drug candidates to the development of safe and effective treatments for diseases such as cancer. It can also help to speed up the discovery process by reducing the time and cost involved in laboratory testing.

In Silico Model

An in silico model is a computer program that mimics the behaviour of biological phenomena, such as cell-cell interactions. It can be a complex network model or a discrete cellular automata-based model, and can track changes in quantities over time or space.

In silico models can also be used to predict how a drug might interact with various transporters. These are important for drug delivery, and they can be a powerful tool for drug discovery.

For example, in silico tools can search molecule and ligand databases for compounds that bind to a target protein, or for potential interactions with an enzyme. 

In Silico Experiments

In silico experimentation is the process of using computer models to explore hypotheses. This is similar to what a bench scientist does, but instead of using chemicals, samples, and glassware, a bioinformatics expert uses computer resources such as databases, pharmacophores, and other data analysis tools.

One of the main applications of in silico models is drug discovery. It allows researchers to identify potential drug candidates in a more rapid and efficient manner, and it also reduces the need for expensive lab work.

Another application is drug repurposing, which allows scientists to test existing compounds on other biological systems without having to collect real samples. This is useful for research into how different molecules interact with each other, as well as pathogens.


In silico data is a set of scientific and medical data that are captured, analysed and integrated using software to create computational models of biological processes. These models can be used to make predictions, suggest hypotheses and provide discoveries or advances in medicine or therapeutics.

Often, these models can be compared to laboratory experiments and the results are used to guide further preclinical or clinical research. In addition, they can also be used as precursors to experimental studies, allowing scientists to develop more refined hypotheses and experimental designs.


In silico model analysis is the process of using computer models to evaluate and predict the effects of a drug or a disease. It can be used to determine the efficacy and safety of a drug or disease, as well as help identify and develop drugs with fewer side effects.

In the world of drug development, in silico modelling and simulation has become a key source of evidence, accelerating the pace of discovery and development of new therapeutics. However, it is not without its challenges and concerns.