Conference: Pistoia Alliance 2026 CSCS Conference
日期： 2026 年 9 月 29 - 30 日
地点：
Drinks reception
Certara is sponsoring the drinks reception at the Maryborough Hotel from 18:30 on Tuesday, 29 September. Stop by for a relaxed drink and a great conversation with our team, including Zofia Jordan and Ákos Papp.
Where to hear Certara insights and expertise
Presenter: Zofia Jordan, Consultant
Drug laws increasingly use analogue control to cover substances chemically or pharmacologically similar to those already regulated, reducing the need for constant legislative updates. Because similarity is hard to define, the challenge is identifying true analogues while avoiding false positives that require expert review. We present our work on improving similarity detection through a multi-fingerprint approach and innate knowledge, culminating in a consensus model that blends interpretability with adaptive predictive power.
Presenter: Ákos Papp, Compliance Checker & cHemTS Product Manager, Certara
Organic molecule structures containing multiple fragments are represented in different ways in different compound databases: connected with the proper bond type, with single bonds, or not connected at all. They may represent different types of molecules, ranging from inorganic acid esters and coordinate compounds to organic salts and mixtures, and each type should be classified accordingly in the Harmonized System. This presentation will discuss the classification rules related to these multifragment molecules, and the algorithms we developed to assign the proper HS codes to them.
Meet our presenters
Zofia Jordan
Zofia Jordan is currently an independent consultant for Compound Compliance, formerly she was Compound Compliance specialist for discovery compounds at GSK, where she has proven experience in managing both the physical handling and associated data around controlled compounds. As the Chair of the Controlled Substance Compliance Expert Community, Pistoia Alliance, she represented Pharma in talks with the Advisory Council on Misuse of Drugs to modify the Third Generation Synthetic Cannabinoid amendment, which finally came into law in November 2019, releasing thousands of compounds back into discovery libraries across pharma.
Ákos Papp
Ákos Papp is a chemical engineer through education, as he graduated from the Department of Chemical Engineering at Technical University of Budapest. Throughout his career he has always worked in the chemoinformatics area, both at the software development and from a user standpoint. Since joining Chemaxon in 2008, he was involved in several projects including Marvin, Compound Registration and Biologics registration, and now he is the Senior Product Manager of Compliance Checker and cHemTS.
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