CNN-based two-branch multi-scale feature extraction network for retrosynthesis prediction

Abstract Background Retrosynthesis prediction is the task of deducing reactants from reaction products, which is of great importance for designing the synthesis routes of the target products. The product molecules are generally represented with some descriptors such as simplified molecular input lin...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:BMC Bioinformatics
المؤلفون الرئيسيون: Feng Yang, Juan Liu, Qiang Zhang, Zhihui Yang, Xiaolei Zhang
التنسيق: مقال
اللغة:الإنجليزية
منشور في: BMC 2022-09-01
الموضوعات:
Retrosynthesis prediction
Convolutional neural network
Machine learning
Multi-scale features
الوصول للمادة أونلاين:https://doi.org/10.1186/s12859-022-04904-7

الانترنت

https://doi.org/10.1186/s12859-022-04904-7

مواد مشابهة