Search

Computer Science

Presentation

Cognitive and computational building blocks for more human-like language in machines

Joshua B. Tenenbaum

Version 1 posted 10 December 2020

468

Downloads

Chemistry

Working Paper

Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors

Rocco Meli, Andrew Anighoro, Mike Bodkin, Garrett Morris, Philip Biggin

Version 1 posted 22 December 2020

1,205

Downloads

2

Citations

Chemistry

Working Paper

Classification of Coffee and Wine with a Microwave Resonator and Deep Learning Machine Technique

Hyo Bong Hong, Jae-Chan Jeong, Hans Joachim Krause

Version 1 posted 12 June 2020

484

Downloads

1

Citations

Chemistry

Working Paper

Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design

Vendy Fialkova, Jiaxi Zhao, Kostas Papadopoulos, Ola Engkvist, Esben Jannik Bjerrum, Thierry Kogej, Atanas Patronov

Version 2 posted 20 August 2021

2,572

Downloads

1

Citations

Chemistry

Working Paper

Levenshtein Augmentation Improves Performance of SMILES Based Deep-Learning Synthesis Prediction

Dean Sumner, Jiazhen He, Amol Thakkar, Ola Engkvist, Esben Jannik Bjerrum

Version 2 posted 06 July 2020

1,320

Downloads

2

Citations

Computer Science

Working Paper

ARTIFICIAL INTELLIGENCE IN MARKETING

S M Nazmuz Sakib

Version 1 posted 12 August 2022

6,356

Downloads

Chemistry

Working Paper

Deconvoluting Low Yield from Weak Potency in Direct-to-Biology Workflows with Machine Learning

William McCorkindale, Mihajlo Filep, Nir London, Alpha A. Lee, Emma King-Smith

Version 2 posted 09 February 2024

724

Downloads

Chemistry

Working Paper

Machine Learning Models for Solvent Prediction in Organic Reactions: Bridging the Gap between Theory and Practical Efficacy

Oliver Tobias Schilter, Carlo Baldassari, Teodoro Laino, Philippe Schwaller

Version 2 posted 20 May 2025

1,577

Downloads

1

Citations

Chemistry

Working Paper

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

David Buterez, Jon Paul Janet, Steven Kiddle, Dino Oglic, Pietro Liò

Version 3 posted 19 January 2024

2,311

Downloads

Chemistry

Working Paper

Designing Chemical Reaction Arrays using phactor and ChatGPT

Babak Mahjour, Jillian Hoffstadt, Tim Cernak

Version 1 posted 28 February 2023

5,102

Downloads

2

Citations

Refine Search

57 results in AI in Keywords: AI

Cognitive and computational building blocks for more human-like language in machines

Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors

Classification of Coffee and Wine with a Microwave Resonator and Deep Learning Machine Technique

Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design

Levenshtein Augmentation Improves Performance of SMILES Based Deep-Learning Synthesis Prediction

ARTIFICIAL INTELLIGENCE IN MARKETING

Deconvoluting Low Yield from Weak Potency in Direct-to-Biology Workflows with Machine Learning

Machine Learning Models for Solvent Prediction in Organic Reactions: Bridging the Gap between Theory and Practical Efficacy

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

Designing Chemical Reaction Arrays using phactor and ChatGPT

57 results in Keywords: AI