Big Data are becoming an integrative part of business development. The progress with analysis of these data is directly linked to innovative machine learning approaches, such as convolutional and deep learning neural networks, which have already found multiple successful applications in image processing, voice recognition, etc. The use of these technologies in chemistry is not straightforward: in addition to excellent computer science knowledge and infrastructure, a deep domain expertise is required to transform data and modeling results into information and knowledge. These requirements create a significant barrier for companies to enter this area. At the same time, a delay to use the Big Data can contribute to loosing of competition and of market.
BIGCHEM GmbH is developing an innovative platform, which supports data analysis of millions of compounds by running calculations on thousands of CPUs and/or GPU cards, thus covering infrastructure needs even for the largest Big Pharma. It has an extendable framework allowing a flexible inclusion of the best machine learning algorithms, which were frequently reported as winners in multiple life sciences competitions. More importantly, our team has contributed a number of such top-ranked results. BIGCHEM will facilitate pharma companies to enter the Big Data business by providing tools as well as the expertise to support them in this dynamic area of research.