Cheminformatics, medicinal chemistry and drug discovery consulting

Free Cheminformatics Tools for Medicinal Chemistry and Drug Discovery
Developed and maintained by Ertl Molecular.

Ertl Molecular provides consulting services in cheminformatics, medicinal chemistry, and drug discovery. Whether you are developing novel computational methods, analyzing molecular data, or tackling a challenging scientific problem, we would be pleased to discuss how we can help. Please contact us at info[at]ertlmolecular.com.

Our team is led by Dr. Peter Ertl, Scientific Director, who has more than 25 years of experience in medicinal chemistry, cheminformatics, and drug discovery in the pharmaceutical and agrochemical industries. Dr. Ertl is the author of more than 140 scientific publications and the inventor of several widely adopted cheminformatics methods and algorithms, including the Synthetic Accessibility Score (SAscore), the Natural Product-Likeness Score and the TPSA algorithm which are used extensively in both academia and industry.

Our cheminformatics solutions and technologies are used by leading pharmaceutical, agrochemical, and specialty chemicals companies, as well as by universities and research organizations worldwide.