Demo Data from EDBT 2026 / reviewers in the wild / expert
Simon Steshin
dblp:358/9815
· DBLP profile ↗
1ranked-venue papers
1as first author
1since 2021 · last 2023
—ORCID · none
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 first-author · 1 since 2021
Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Bioinformatics and computational biology · 100% |
Topics — the 4 heaviest of 4, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Bioinformatics and computational biology
drug discovery |
0.7 | 1 | 2023 | Lo-Hi: Practical ML Drug Discovery Benchmark · NeurIPS 2023 |
Bioinformatics and computational biology › drug discovery › drug screening
hit identification |
0.7 | 1 | 2023 | Lo-Hi: Practical ML Drug Discovery Benchmark · NeurIPS 2023 |
Bioinformatics and computational biology › drug discovery › molecular optimization
lead optimization |
0.7 | 1 | 2023 | Lo-Hi: Practical ML Drug Discovery Benchmark · NeurIPS 2023 |
Bioinformatics and computational biology
molecular property prediction |
0.7 | 1 | 2023 | Lo-Hi: Practical ML Drug Discovery Benchmark · NeurIPS 2023 |
Methods — techniques the papers use, named apart from their topics
molecular splitting · 0.7machine learning benchmarking · 0.7balanced vertex minimum k-cut · 0.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2023 | Lo-Hi: Practical ML Drug Discovery BenchmarkabstractFinding new drugs is getting harder and harder. One of the hopes of drug discovery is to use machine learning models to predict molecular properties. That is why models for molecular property prediction are being developed and tested on benchmarks such as MoleculeNet. However, existing benchmarks are unrealistic and are too different from applying the models in practice. We have created a new practical \emph{Lo-Hi} benchmark consisting of two tasks: Lead Optimization (Lo) and Hit Identification (Hi), corresponding to the real drug discovery process. For the Hi task, we designed a novel molecular splitting algorithm that solves the Balanced Vertex Minimum $k$-Cut problem. We tested state-of-the-art and classic ML models, revealing which works better under practical settings. We analyzed modern benchmarks and showed that they are unrealistic and overoptimistic.Review: https://openreview.net/forum?id=H2Yb28qGLVLo-Hi benchmark: https://github.com/SteshinSS/lohi_neurips2023Lo-Hi splitter library: https://github.com/SteshinSS/lohi_splitter Simon Steshin |
NeurIPS | 1 |