Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects

Academic Drug Development: The DRIVE Model

(2018) Dennis Liotta et al.   ACS Medicinal Chemistry Letters

De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles

(2017) Alejandro Speck-Planche et al.   MEDICINAL CHEMISTRY RESEARCH

Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

(2017) Alejandro Speck-Planche et al.   MOLECULAR DIVERSITY

Legacy data sharing to improve drug safety assessment: the eTOX project

(2017) Ferran Sanz et al.   NATURE REVIEWS DRUG DISCOVERY

Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads

(2017) Alejandro Speck-Planche et al.   ACS Combinatorial Science

Innovation in the pharmaceutical industry: New estimates of R&D costs

(2016) Joseph A. DiMasi et al.   JOURNAL OF HEALTH ECONOMICS

Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives

(2016) Francisco J. Romero-Durán et al.   NEUROPHARMACOLOGY

Drug resistance in cancer: molecular evolution and compensatory proliferation

(2016) Ran Friedman   Oncotarget

Multitasking models for quantitative structure–biological effect relationships: current status and future perspectives to speed up drug discovery

(2015) Alejandro Speck-Planche et al.   Expert Opinion on Drug Discovery

Emerging Issues in Gram-Negative Bacterial Resistance

(2015) Shawn Vasoo et al.   MAYO CLINIC PROCEEDINGS

The SIDER database of drugs and side effects

(2015) Michael Kuhn et al.   NUCLEIC ACIDS RESEARCH

Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents

(2014) Alejandro Speck-Planche et al.   Future Medicinal Chemistry

ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks

(2014) Humberto González-Díaz et al.   Journal of Chemical Information and Modeling

Simultaneous Virtual Prediction of Anti-Escherichia coli Activities and ADMET Profiles: A Chemoinformatic Complementary Approach for High-Throughput Screening

(2014) Alejandro Speck-Planche et al.   ACS Combinatorial Science

Model for high-throughput screening of drug immunotoxicity – Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry

(2013) Esvieta Tenorio-Borroto et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY