A platform that connects scientific rationale, compound design and computational resources.
Building accurate ML models with relevant features and Boruta algorithm. Feature selection,...
Handling large collections of molecules? You need robust cheminformatics tools to identify...
Can the drugs of the future be found in commercial space? The size of the drug-like chemical space...
Drug discovery is a knowledge-intensive process in which having the right information at hand can...
The complement system (CS) is a key component of innate immunity, which is involved in several...
In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...
Hydrogen peroxide is an unstable oxidizer that occurs naturally in the marine environment. In...
Zosimos is an online chemistry education solution for academia and industry Zosimos is an open...
The metabolome of an organism consists in the totality of the small molecules present in this...
The knowledge, that is being produced and stored in the forms of reports, patents and scientific...
Drug discovery is an iterative process of hypothesis construction relying on observations and...
Small molecule design is an information demanding activity, since all relevant knowledge is to be...