Systematic Review
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AWAITING PEER REVIEW
Machine Learning for Heavy Metal Pollution Status Classification Using Spectroscopic and Electrochemical Data: A Systematic Review
[version 1; peer review: awaiting peer review]
Peer Reviewers
Invited
- Funder
- Lembaga Pengelola Dana Pendidikan
Research Article
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Revised
Optimization of binding affinities in chemical space with generative pre-trained transformer and deep reinforcement learning
[version 2; peer review: 3 approved, 2 approved with reservations]
Peer Reviewers
Ka-Chun Wong;
Guohua Wang;
Jianmin Wang;
Qifeng Bai;
Aslıhan Aycan Tanrıverdi
- Funder
- King Abdullah University of Science and Technology (KAUST) Office of Research Administration (ORA)
Method Article
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Supervised topic modeling for predicting molecular substructure from mass spectrometry
[version 1; peer review: 2 approved with reservations]
Peer Reviewers
Joe Wandy;
Hunter N B Moseley
- Funder
- National Institutes of Health
Opinion Article
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Rationality over fashion and hype in drug design
[version 1; peer review: 2 approved]
Peer Reviewers
Bruno O. Viloutreix;
Maria Sorokina
- Funder
- DGAPA-PASPA
Research Article
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Peer Reviewers
Ruth Brenk;
Johannes Kirchmair
Method Article
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Revised
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria
[version 2; peer review: 3 approved]
Peer Reviewers
David Ryan Koes;
Matthew P. Baumgartner;
Andrea Volkamer
- Funder
- Novartis Institutes for BioMedical Research
Research Article
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Revised
Machine learning models identify molecules active against the Ebola virus in vitro
[version 3; peer review: 2 approved]
Peer Reviewers
Sanja Glisic;
Sandeep Chakraborty