Matteo Aldeghi

Also affiliated with Machine Science, Bayer (France)

Computer ScienceMaterials ScienceBiochemistry, Genetics and Molecular Biology

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

1in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 1 indexed paper attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

Papers

Driven by 4 papers. Top paper: “A call for an industry-led initiative to critically assess machine learning for real-world drug discovery”.

A call for an industry-led initiative to critically assess machine learning for real-world drug discovery

Nature Machine Intelligence(2024)10.1038/s42256-024-00911-w

N/A

0.489DataRank · unranked

25 citations

Jeremy R. Ash, Matteo Aldeghi, Raquel Rodríguez-Pérez, Cheng Fang, Alan C. Cheng +5 more

Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding

The Journal of Physical Chemistry B(2025)10.1021/acs.jpcb.4c07794

N/A

0.373DataRank · unranked

11 citations

Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica White +11 more

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

Journal of Computer-Aided Molecular Design(2020)10.1007/s10822-020-00290-5

N/A

0DataRank · unranked

136 citations

Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes +12 more

A graph representation of molecular ensembles for polymer property prediction

Chemical Science(2022)10.1039/d2sc02839e

N/A

0DataRank · unranked

1 citations

Connor W. Coley, Matteo Aldeghi