Reinaldo Molina

Improving deep learning protein monomer and complex structure prediction using DeepMSA2 with huge metagenomics data

Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction

Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries

Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L.