Not-in-my-backyard but let’s talk: Explaining public opposition to facility siting in urban China
Sign Up to like & getrecommendations! Published in 2018 at "Land Use Policy"
DOI: 10.1016/j.landusepol.2018.06.006
Abstract: Abstract This paper examines determinants of public attitudes toward the siting of two hypothetical projects with similar environmental consequences but different developmental implications, i.e., a waste disposal facility and a large chemical plant. It addresses… read more here.
Keywords: opposition; facility; public opposition; backyard let ... See more keywords
Application of Symmetry Functions to Large Chemical Spaces Using a Convolutional Neural Network
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00835
Abstract: The use of machine learning in chemistry is on the rise for the prediction of chemical properties. The input feature representation or descriptor in these applications is an important factor that affects the accuracy as… read more here.
Keywords: chemical spaces; convolutional neural; large chemical; symmetry ... See more keywords
Chemical Space Exploration with Active Learning and Alchemical Free Energies
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00752
Abstract: Drug discovery can be thought of as a search for a needle in a haystack: searching through a large chemical space for the most active compounds. Computational techniques can narrow the search space for experimental… read more here.
Keywords: active learning; alchemical free; large chemical; space ... See more keywords
Comparison of Large Chemical Spaces.
Sign Up to like & getrecommendations! Published in 2019 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.9b00331
Abstract: Chemical libraries are commonplace in computer-aided drug discovery, and assessing their overlap/complementarity is a routine task. For this purpose, different techniques are applied, ranging from exact matching to comparing physicochemical properties. However, these techniques are… read more here.
Keywords: chemical spaces; comparison large; chemistry; large chemical ... See more keywords
DD-GUI: a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking)
Sign Up to like & getrecommendations! Published in 2022 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btab771
Abstract: SUMMARY Deep learning (DL) can significantly accelerate virtual screening of ultra-large chemical libraries, enabling the evaluation of billions of compounds at a fraction of the computational cost and time required by conventional docking. Here we… read more here.
Keywords: deep learning; chemical libraries; gui graphical; large chemical ... See more keywords