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Collaborative Profile-QSAR: A Natural Platform for Building Collaborative Models Among Competing Companies
preprintsubmitted on 26.10.2020, 21:59 and posted on 06.11.2020, 18:58 by Eric Martin, Xiangwei Zhu
Article describing collaborative modeling between competitor companies by sharing single-task models and incorporating them into stacked multi-task Profile-QSAR models, without sharing chemical structures, activity data or biological targets. Data are ~20 million pIC50s from ~12,000 Novartis internal dose-response assays tested on a total of ~1.9 million compounds. They were divided into pseudo-companies based on the several companies that historically merged to form Novartis.