Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge

Lenselink, EB; Stouten, PFW

Lenselink, EB (corresponding author), Galapagos NV, Generaal Wittelaan L11 A3, B-2800 Mechelen, Belgium.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2021; 35 (8): 901

Abstract

Accurate prediction of lipophilicity-logP-based on molecular structures is a well-established field. Predictions of logP are often used to drive forwa......

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