Mohammad Wasim

Assessing the utility of coevolution-based residue–residue contact predictions in a sequence- and structure-rich era

Metabolite profiling: from diagnostics to systems biology

CASP6 assessment of contact prediction

Improved residue contact prediction using support vector machines and a large feature set

Rewiring of the Fruit Metabolome in Tomato Breeding

Quality control for plant metabolomics: reporting MSI‐compliant studies

Systems biology, metabolic modelling and metabolomics in drug discovery and development

Metabolomics and systems biology: making sense of the soup

Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts

Designing antimicrobial peptides: form follows function

Using Raman spectroscopy to characterize biological materials

Chemoinformatics and Library Design

Discrimination between benign, primary and secondary malignancies in lymph nodes from the head and neck utilising Raman spectroscopy and multivariate analysis

PROFcon: novel prediction of long-range contacts

MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data

Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

Gas chromatography mass spectrometry–based metabolite profiling in plants

Fingerprinting food: current technologies for the detection of food adulteration and contamination

MoleculeNet: a benchmark for molecular machine learning

Green chemistry in analytical atomic spectrometry: a review

Virtual Chromatographic Resolution Enhancement in Cryoflow LC−NMR Experiments via Statistical Total Correlation Spectroscopy

Contribution of Organically Grown Crops to Human Health

Exceptional Evolutionary Divergence of Human Muscle and Brain Metabolomes Parallels Human Cognitive and Physical Uniqueness

Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds

Dietary and Policy Priorities for Cardiovascular Disease, Diabetes, and Obesity

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal–phosphorus bond

Computer-inspired quantum experiments

Ruthenium-Based Heterocyclic Carbene-Coordinated Olefin Metathesis Catalysts

Rapid metabolic evolution in human prefrontal cortex

Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?

The 12 principles of green analytical chemistry and the SIGNIFICANCE mnemonic of green analytical practices

Applied Hydroformylation

Protein contact prediction using metagenome sequence data and residual neural networks

Pattern recognition of Inductively Coupled Plasma Atomic Emission Spectroscopy of human scalp hair for discriminating between healthy and Hepatitis C patients

Application of multivariate curve resolution methods to on-flow LC-NMR

Hard Modeling Methods for the Curve Resolution of Data from Liquid Chromatography with a Diode Array Detector and On-Flow Liquid Chromatography with Nuclear Magnetic Resonance Spectroscopy

Elemental characterisation of strawberry grown in Islamabad by k 0-instrumental neutron activation analysis and atomic absorption spectrophotometry and its dietary assessment

Handbook of chemoinformatics: from data to knowledge, edited by Johann Gasteiger, Volumes 1–4. Wiley‐VCH, Weinheim, 2003, ISBN 3527306803, €485

Evaluation of chemometric methods for determining the number and position of components in high-performance liquid chromatography detected by diode array detector and on-flow 1H nuclear magnetic resonance spectroscopy