Search

6 results in Keywords: Mathematics

Theoretical and Computational Chemistry

Working Paper

Spectral Deep Learning for Prediction and Prospective Validation of Functional Groups

Jonathan Fine, Anand Rasjashekar, Krupal P. Jethava, Gaurav Chopra

Version 2 posted 24 January 2020

1,408

Downloads

Chemical Education

Working Paper

Development of a week-long mathematics intervention for incoming chemistry graduate students

Rachel Clune, Avishek Das, Dipti Jasrasaria, Elliot Rossomme, Orion Cohen, Anne M. Baranger

Version 2 posted 01 August 2023

406

Downloads

Citations

Physical Chemistry

Working Paper

Phase-Plane Geometries in Coupled Enzyme Assays

Justin Eilertsen, Wylie Stroberg, Santiago Schnell

Version 3 posted 19 September 2018

1,670

Downloads

Theoretical and Computational Chemistry

Working Paper

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

Benjamin Sanchez-Lengeling, Carlos Outeiral, Gabriel L. Guimaraes, Alan Aspuru-Guzik

Version 3 posted 17 August 2017

11,505

Downloads

Citations

Physical Chemistry

Working Paper

A theory of reactant-stationary kinetics for a mechanism of zymogen activation

Justin Eilertsen, Wylie Stroberg, Santiago Schnell

Version 4 posted 10 August 2018

2,054

Downloads

Biological and Medicinal Chemistry

Working Paper

Application of the "kobs" method for the study of tight-binding reversible inhibitors

Petr Kuzmic

Version 2 posted 25 August 2022

1,213

Downloads

Search

Refine Search

6 results in Mathematics in Keywords: Mathematics

Spectral Deep Learning for Prediction and Prospective Validation of Functional Groups

Development of a week-long mathematics intervention for incoming chemistry graduate students

Phase-Plane Geometries in Coupled Enzyme Assays

Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)

A theory of reactant-stationary kinetics for a mechanism of zymogen activation

Application of the "kobs" method for the study of tight-binding reversible inhibitors

6 results in Keywords: Mathematics