Open AccessGeneral Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps
Author(s) -
Benjamin P. Brown,
Jeffrey Mendenhall,
Alexander R. Geanes,
Jens Meiler
Publication year - 2021
Publication title -
journal of chemical information and modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.0c01001
Subject(s) - pharmacophore , cheminformatics , virtual screening , quantitative structure–activity relationship , computer science , drug discovery , machine learning , artificial intelligence , artificial neural network , computational biology , data mining , bioinformatics , biology
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom