Samsung Electronics Co., Ltd.

Venkata Tadi Siva Kumar

Taeyong Kim

Anirban Bhaduri

Varun Giri

Kyusang Lee

Saswati Dana

In a method of assessing a bio-chemical synthesis pathway, input data (that is, data representing a chemical pathway, a reaction, and/or a molecule) is processed to extract a feature of at least one selected from an association of a molecular substructure, an association of at least one molecular substructure classified according to a molecular transformation type, and an association of a reaction transformation type. The input data may be ranked or filtered based on an association measure extracted from a chemical knowledgebase (e.g., database storing chemical data), thereby enabling a prediction or selection of an appropriate chemical pathway, reaction, and/or molecule.

Methods and apparatus for assessing pathways for bio-chemical synthesis

Provided are a method and apparatus for designing and processing a rule pipeline for in silico prediction of chemical reactions. The method includes designing a rule pipeline from at least one rule for chemical conversion and processing at least one input molecule by using the designed rule pipeline to predict a chemical reaction based on a processing result of the processing.

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Andhra Pradesh, India

Venkata Tadi Siva Kumar