Chemaxon newsroom

Poster

27 06 2023
2 minutes

Building machine learning models using relevant features

Building accurate ML models with relevant features and Boruta algorithm. Feature selection,...

03 04 2023
< 1 minute

Compliance screen of 45M compounds in a weekend

Handling large collections of molecules? You need robust cheminformatics tools to identify...

12 10 2021
< 1 minute

Screening Commercial Compounds When Creating Novel Drugs (Infographic)

Can the drugs of the future be found in commercial space? The size of the drug-like chemical space...

12 09 2020
< 1 minute

Shrinking the haystack: an overarching search in chemical databases

Drug discovery is a knowledge-intensive process in which having the right information at hand can...

12 09 2019
< 1 minute

Design, selection and in vitro evaluation of potential, small-molecule complement C1s inhibitors

The complement system (CS) is a key component of innate immunity, which is involved in several...

12 09 2019
< 1 minute

Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy

In humans, eight 5'-nucleotidases catalyze the hydrolysis of nucleoside 5'-monophosphates into...

12 09 2019
< 1 minute

Simultaneous Detection of Oxygen and Hydrogen Peroxide on Fluorine Doped Tin Oxide Electrodes

Hydrogen peroxide is an unstable oxidizer that occurs naturally in the marine environment. In...

12 09 2019
< 1 minute

Create your own content for online education with Zosimos

Zosimos is an online chemistry education solution for academia and industry Zosimos is an open...

12 09 2019
< 1 minute

Deep metabolome annotation and the necessity of a thought experiment

The metabolome of an organism consists in the totality of the small molecules present in this...

12 09 2019
2 minutes

Chemical Intelligence That Makes Hidden Knowledge Effortlessly Reachable

The knowledge, that is being produced and stored in the forms of reports, patents and scientific...

12 09 2019
2 minutes

Design Hub for early phase drug discovery

Drug discovery is an iterative process of hypothesis construction relying on observations and...

12 09 2018
< 1 minute

Escape from 'availability bias' in compound design

Small molecule design is an information demanding activity, since all relevant knowledge is to be...