most citedMachine Learning Small Molecule Properties in Drug Discovery

2 citations · 2 across the 3 of their papers we have counts for

collaborators

3 papers

math.FA2026

Best approximants relative to a C-subalgebra, joint numerical range and subdifferentials

Tamara Bottazzi, Alejandro Varela

We study the minimality of Hermitian matrices respect to a -subalgebra of in the spectral norm, that is \[\|A\|\leq \|A+B\|,\ \…

q-bio.BM2023★ 2 cited

Machine Learning Small Molecule Properties in Drug Discovery

Nikolai Schapin, Maciej Majewski, Alejandro Varela +2

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced…

math.FA2023

Minimal self-adjoint compact operators, moment of a subspace and joint numerical range

Tamara Bottazzi, Alejandro Varela

We define the (convex) joint numerical range for an infinite family of compact operators in a Hilbert space H. We use this set to determine whether a self-adjoint compact operator…